(4R)-4-(4-methylpiperazin-1-yl)-N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)pentanamide

C23H34N4O — CID 95557304

IUPAC(4R)-4-(4-methylpiperazin-1-yl)-N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)pentanamide
SMILESC[C@H](CCC(=O)NCc1ccc2[nH]c3c(c2c1)CCCC3)N1CCN(C)CC1
InChIInChI=1S/C23H34N4O/c1-17(27-13-11-26(2)12-14-27)7-10-23(28)24-16-18-8-9-22-20(15-18)19-5-3-4-6-21(19)25-22/h8-9,15,17,25H,3-7,10-14,16H2,1-2H3,(H,24,28)/t17-/m1/s1
InChIKeyOKSVAGJHHDOMJH-QGZVFWFLSA-N
MW382.55 g/mol
LogP3.08
Rot. Bonds6

About (4R)-4-(4-methylpiperazin-1-yl)-N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)pentanamide

(4R)-4-(4-methylpiperazin-1-yl)-N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)pentanamide (PubChem CID 95557304) has the molecular formula C23H34N4O and a molecular weight of 382.55 g/mol. Its IUPAC name is (4R)-4-(4-methylpiperazin-1-yl)-N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)pentanamide.

Molecular Properties

Compound Name(4R)-4-(4-methylpiperazin-1-yl)-N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)pentanamide
PubChem CID95557304
Molecular FormulaC23H34N4O
Molecular Weight382.55 g/mol
Exact Mass382.27
IUPAC Name(4R)-4-(4-methylpiperazin-1-yl)-N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)pentanamide
SMILESC[C@H](CCC(=O)NCc1ccc2[nH]c3c(c2c1)CCCC3)N1CCN(C)CC1
InChIInChI=1S/C23H34N4O/c1-17(27-13-11-26(2)12-14-27)7-10-23(28)24-16-18-8-9-22-20(15-18)19-5-3-4-6-21(19)25-22/h8-9,15,17,25H,3-7,10-14,16H2,1-2H3,(H,24,28)/t17-/m1/s1
InChIKeyOKSVAGJHHDOMJH-QGZVFWFLSA-N
XLogP3.08
TPSA51.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.55
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)pentanamide
CID 4612444
3-(carbamoylamino)-N-(6,7,8,9,10,11-hexahydro-5H-cycloocta[b]indol-2-ylmethyl)propanamide
CID 56867108
methyl (2S)-2-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethylcarbamoylamino)propanoate
CID 56879720
1-methyl-6-oxo-N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)pyridazine-3-carboxamide
CID 56875329
3,4-difluoro-N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)benzamide
CID 3428305
1-cyclohexyl-3-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)urea
CID 3341724
(4R)-N-(3H-benzimidazol-5-ylmethyl)-4-pyrrolidin-1-ylpentanamide
CID 126453026
N-methyl-5-[[[(4R)-4-(4-methylpiperazin-1-yl)pentanoyl]amino]methyl]furan-2-carboxamide
CID 125163780
1-(2,6-diethylphenyl)-3-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)thiourea
CID 4220236
N-[(1,3-diaminoisoquinolin-7-yl)methyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 172622961
N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)-1-benzofuran-2-carboxamide
CID 3297671
1-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-3-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)urea
CID 7513965

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(4-methylpiperazin-1-yl)-N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)pentanamide?
The IUPAC name of (4R)-4-(4-methylpiperazin-1-yl)-N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)pentanamide (CID 95557304) is (4R)-4-(4-methylpiperazin-1-yl)-N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)pentanamide.
What is the SMILES notation for (4R)-4-(4-methylpiperazin-1-yl)-N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)pentanamide?
The canonical SMILES for (4R)-4-(4-methylpiperazin-1-yl)-N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)pentanamide is C[C@H](CCC(=O)NCc1ccc2[nH]c3c(c2c1)CCCC3)N1CCN(C)CC1.
What is the InChIKey of (4R)-4-(4-methylpiperazin-1-yl)-N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)pentanamide?
The InChIKey is OKSVAGJHHDOMJH-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H34N4O/c1-17(27-13-11-26(2)12-14-27)7-10-23(28)24-16-18-8-9-22-20(15-18)19-5-3-4-6-21(19)25-22/h8-9,15,17,25H,3-7,10-14,16H2,1-2H3,(H,24,28)/t17-/m1/s1.
What are the key properties of (4R)-4-(4-methylpiperazin-1-yl)-N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)pentanamide?
(4R)-4-(4-methylpiperazin-1-yl)-N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)pentanamide has a molecular weight of 382.55 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(4-methylpiperazin-1-yl)-N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)pentanamide is sourced from PubChem (CID 95557304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).