N-[2-[4-butyl-4-[[1-[1-[2-[(6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carbonyl)-methylamino]ethyl]-4-phenylpiperidin-4-yl]pyrrolidin-3-yl]methyl-methylamino]piperidin-1-yl]ethyl]-6-chloro-N-methyl-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide

C58H78Cl2N8O2 — CID 143850318

IUPACN-[2-[4-butyl-4-[[1-[1-[2-[(6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carbonyl)-methylamino]ethyl]-4-phenylpiperidin-4-yl]pyrrolidin-3-yl]methyl-methylamino]piperidin-1-yl]ethyl]-6-chloro-N-methyl-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide
SMILESCCCCC1(N(C)CC2CCN(C3(c4ccccc4)CCN(CCN(C)C(=O)C4CCCc5c4[nH]c4ccc(Cl)cc54)CC3)C2)CCN(CCN(C)C(=O)C2CCCc3c2[nH]c2ccc(Cl)cc32)CC1
InChIInChI=1S/C58H78Cl2N8O2/c1-5-6-23-57(24-29-66(30-25-57)35-33-63(2)55(69)47-16-10-14-45-49-37-43(59)18-20-51(49)61-53(45)47)65(4)39-41-22-28-68(40-41)58(42-12-8-7-9-13-42)26-31-67(32-27-58)36-34-64(3)56(70)48-17-11-15-46-50-38-44(60)19-21-52(50)62-54(46)48/h7-9,12-13,18-21,37-38,41,47-48,61-62H,5-6,10-11,14-17,22-36,39-40H2,1-4H3
InChIKeyWZKAPTORDQFTFP-UHFFFAOYSA-N
MW990.22 g/mol
LogP10.68
Rot. Bonds16

About N-[2-[4-butyl-4-[[1-[1-[2-[(6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carbonyl)-methylamino]ethyl]-4-phenylpiperidin-4-yl]pyrrolidin-3-yl]methyl-methylamino]piperidin-1-yl]ethyl]-6-chloro-N-methyl-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide

N-[2-[4-butyl-4-[[1-[1-[2-[(6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carbonyl)-methylamino]ethyl]-4-phenylpiperidin-4-yl]pyrrolidin-3-yl]methyl-methylamino]piperidin-1-yl]ethyl]-6-chloro-N-methyl-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide (PubChem CID 143850318) has the molecular formula C58H78Cl2N8O2 and a molecular weight of 990.22 g/mol. Its IUPAC name is N-[2-[4-butyl-4-[[1-[1-[2-[(6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carbonyl)-methylamino]ethyl]-4-phenylpiperidin-4-yl]pyrrolidin-3-yl]methyl-methylamino]piperidin-1-yl]ethyl]-6-chloro-N-methyl-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide.

Molecular Properties

Compound NameN-[2-[4-butyl-4-[[1-[1-[2-[(6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carbonyl)-methylamino]ethyl]-4-phenylpiperidin-4-yl]pyrrolidin-3-yl]methyl-methylamino]piperidin-1-yl]ethyl]-6-chloro-N-methyl-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide
PubChem CID143850318
Molecular FormulaC58H78Cl2N8O2
Molecular Weight990.22 g/mol
Exact Mass988.56
IUPAC NameN-[2-[4-butyl-4-[[1-[1-[2-[(6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carbonyl)-methylamino]ethyl]-4-phenylpiperidin-4-yl]pyrrolidin-3-yl]methyl-methylamino]piperidin-1-yl]ethyl]-6-chloro-N-methyl-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide
SMILESCCCCC1(N(C)CC2CCN(C3(c4ccccc4)CCN(CCN(C)C(=O)C4CCCc5c4[nH]c4ccc(Cl)cc54)CC3)C2)CCN(CCN(C)C(=O)C2CCCc3c2[nH]c2ccc(Cl)cc32)CC1
InChIInChI=1S/C58H78Cl2N8O2/c1-5-6-23-57(24-29-66(30-25-57)35-33-63(2)55(69)47-16-10-14-45-49-37-43(59)18-20-51(49)61-53(45)47)65(4)39-41-22-28-68(40-41)58(42-12-8-7-9-13-42)26-31-67(32-27-58)36-34-64(3)56(70)48-17-11-15-46-50-38-44(60)19-21-52(50)62-54(46)48/h7-9,12-13,18-21,37-38,41,47-48,61-62H,5-6,10-11,14-17,22-36,39-40H2,1-4H3
InChIKeyWZKAPTORDQFTFP-UHFFFAOYSA-N
XLogP10.68
TPSA85.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500990.22
LogP ≤ 510.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[2-[4-butyl-4-[[1-[1-[2-[(6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carbonyl)-methylamino]ethyl]-4-phenylpiperidin-4-yl]pyrrolidin-3-yl]methyl-methylamino]piperidin-1-yl]ethyl]-6-chloro-N-methyl-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-chloro-N,N-diethyl-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide
CID 2859649
6-Chloro-1-(4-methylphenyl)-2-(3-phenylpropanoyl)-2,3,4,9-tetrahydro-1H-beta-carboline
CID 11661899
1-[(1S)-6-chloro-1-(4-methylphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-3-phenylpropan-1-one
CID 11718901
Spiro[3H-indole-3,1'-[1H]pyrido[3,4-b]indol]-2(1H)-one,5-chloro-2',3',4',9'-tetrahydro-3'-methyl-,(1'R,3'S)-
CID 46179404
5-Chloro-2',3',4',9'-tetrahydrospiro[indoline-3,1'-pyrido[3,4-b]indol]-2-one
CID 46867388
5-chloro-3',3'-dimethylspiro[1H-indole-3,1'-4,9-dihydro-2H-pyrido[3,4-b]indole]-2-one
CID 46867389
5-chloro-3'-methylspiro[1H-indole-3,1'-2,3,4,9-tetrahydropyrido[3,4-b]indole]-2-one
CID 46867512
(3R,3'R)-5-chloro-3'-methylspiro[1H-indole-3,1'-2,3,4,9-tetrahydropyrido[3,4-b]indole]-2-one
CID 46867651
1-[(1S)-6-chloro-1-(2-methylpropyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-3-phenylpropan-1-one
CID 44528503
6-chloro-N-methyl-1'-(2-phenylethyl)spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-3-carboxamide
CID 44535918
2-[(1S,3R,12bS)-9-chloro-12b-methyl-4-oxo-1-(piperidine-1-carbonyl)-1,2,3,6,7,12-hexahydroindolo[2,3-a]quinolizin-3-yl]-N-tert-butylacetamide
CID 44601631
(1S,3R,12bS)-9-chloranyl-3-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxidanylidene-ethyl]-12b-methyl-4-oxidanylidene-N,N-di(propan-2-yl)-1,2,3,6,7,12-hexahydroindolo[2,3-a]quinolizine-1-carboxamide
CID 44601644

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-butyl-4-[[1-[1-[2-[(6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carbonyl)-methylamino]ethyl]-4-phenylpiperidin-4-yl]pyrrolidin-3-yl]methyl-methylamino]piperidin-1-yl]ethyl]-6-chloro-N-methyl-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide?
The IUPAC name of N-[2-[4-butyl-4-[[1-[1-[2-[(6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carbonyl)-methylamino]ethyl]-4-phenylpiperidin-4-yl]pyrrolidin-3-yl]methyl-methylamino]piperidin-1-yl]ethyl]-6-chloro-N-methyl-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide (CID 143850318) is N-[2-[4-butyl-4-[[1-[1-[2-[(6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carbonyl)-methylamino]ethyl]-4-phenylpiperidin-4-yl]pyrrolidin-3-yl]methyl-methylamino]piperidin-1-yl]ethyl]-6-chloro-N-methyl-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide.
What is the SMILES notation for N-[2-[4-butyl-4-[[1-[1-[2-[(6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carbonyl)-methylamino]ethyl]-4-phenylpiperidin-4-yl]pyrrolidin-3-yl]methyl-methylamino]piperidin-1-yl]ethyl]-6-chloro-N-methyl-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide?
The canonical SMILES for N-[2-[4-butyl-4-[[1-[1-[2-[(6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carbonyl)-methylamino]ethyl]-4-phenylpiperidin-4-yl]pyrrolidin-3-yl]methyl-methylamino]piperidin-1-yl]ethyl]-6-chloro-N-methyl-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide is CCCCC1(N(C)CC2CCN(C3(c4ccccc4)CCN(CCN(C)C(=O)C4CCCc5c4[nH]c4ccc(Cl)cc54)CC3)C2)CCN(CCN(C)C(=O)C2CCCc3c2[nH]c2ccc(Cl)cc32)CC1.
What is the InChIKey of N-[2-[4-butyl-4-[[1-[1-[2-[(6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carbonyl)-methylamino]ethyl]-4-phenylpiperidin-4-yl]pyrrolidin-3-yl]methyl-methylamino]piperidin-1-yl]ethyl]-6-chloro-N-methyl-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide?
The InChIKey is WZKAPTORDQFTFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H78Cl2N8O2/c1-5-6-23-57(24-29-66(30-25-57)35-33-63(2)55(69)47-16-10-14-45-49-37-43(59)18-20-51(49)61-53(45)47)65(4)39-41-22-28-68(40-41)58(42-12-8-7-9-13-42)26-31-67(32-27-58)36-34-64(3)56(70)48-17-11-15-46-50-38-44(60)19-21-52(50)62-54(46)48/h7-9,12-13,18-21,37-38,41,47-48,61-62H,5-6,10-11,14-17,22-36,39-40H2,1-4H3.
What are the key properties of N-[2-[4-butyl-4-[[1-[1-[2-[(6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carbonyl)-methylamino]ethyl]-4-phenylpiperidin-4-yl]pyrrolidin-3-yl]methyl-methylamino]piperidin-1-yl]ethyl]-6-chloro-N-methyl-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide?
N-[2-[4-butyl-4-[[1-[1-[2-[(6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carbonyl)-methylamino]ethyl]-4-phenylpiperidin-4-yl]pyrrolidin-3-yl]methyl-methylamino]piperidin-1-yl]ethyl]-6-chloro-N-methyl-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide has a molecular weight of 990.22 g/mol, XLogP of 10.68, 16 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-butyl-4-[[1-[1-[2-[(6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carbonyl)-methylamino]ethyl]-4-phenylpiperidin-4-yl]pyrrolidin-3-yl]methyl-methylamino]piperidin-1-yl]ethyl]-6-chloro-N-methyl-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide is sourced from PubChem (CID 143850318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).