N-[(3,4-dichlorophenyl)-[(3R)-1-(2,2-diphenylethyl)piperidin-3-yl]methyl]piperazine-1-carboxamide

C31H36Cl2N4O — CID 140563126

IUPACN-[(3,4-dichlorophenyl)-[(3R)-1-(2,2-diphenylethyl)piperidin-3-yl]methyl]piperazine-1-carboxamide
SMILESO=C(NC(c1ccc(Cl)c(Cl)c1)[C@@H]1CCCN(CC(c2ccccc2)c2ccccc2)C1)N1CCNCC1
InChIInChI=1S/C31H36Cl2N4O/c32-28-14-13-25(20-29(28)33)30(35-31(38)37-18-15-34-16-19-37)26-12-7-17-36(21-26)22-27(23-8-3-1-4-9-23)24-10-5-2-6-11-24/h1-6,8-11,13-14,20,26-27,30,34H,7,12,15-19,21-22H2,(H,35,38)/t26-,30?/m1/s1
InChIKeyJGFPVNJGCVTNMQ-FIQOPJFZSA-N
MW551.56 g/mol
LogP6.19
Rot. Bonds7

About N-[(3,4-dichlorophenyl)-[(3R)-1-(2,2-diphenylethyl)piperidin-3-yl]methyl]piperazine-1-carboxamide

N-[(3,4-dichlorophenyl)-[(3R)-1-(2,2-diphenylethyl)piperidin-3-yl]methyl]piperazine-1-carboxamide (PubChem CID 140563126) has the molecular formula C31H36Cl2N4O and a molecular weight of 551.56 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)-[(3R)-1-(2,2-diphenylethyl)piperidin-3-yl]methyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)-[(3R)-1-(2,2-diphenylethyl)piperidin-3-yl]methyl]piperazine-1-carboxamide
PubChem CID140563126
Molecular FormulaC31H36Cl2N4O
Molecular Weight551.56 g/mol
Exact Mass550.23
IUPAC NameN-[(3,4-dichlorophenyl)-[(3R)-1-(2,2-diphenylethyl)piperidin-3-yl]methyl]piperazine-1-carboxamide
SMILESO=C(NC(c1ccc(Cl)c(Cl)c1)[C@@H]1CCCN(CC(c2ccccc2)c2ccccc2)C1)N1CCNCC1
InChIInChI=1S/C31H36Cl2N4O/c32-28-14-13-25(20-29(28)33)30(35-31(38)37-18-15-34-16-19-37)26-12-7-17-36(21-26)22-27(23-8-3-1-4-9-23)24-10-5-2-6-11-24/h1-6,8-11,13-14,20,26-27,30,34H,7,12,15-19,21-22H2,(H,35,38)/t26-,30?/m1/s1
InChIKeyJGFPVNJGCVTNMQ-FIQOPJFZSA-N
XLogP6.19
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.56
LogP ≤ 56.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(3,4-dichlorophenyl)-[(3R)-1-(2,2-diphenylethyl)piperidin-3-yl]methyl]piperazine-1-carboxamide with MolForge

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Related Compounds

N-[cyclopentyl(phenyl)methyl]-3-methylpyrrolidine-1-carboxamide
CID 86880652
1-(3,4-dichlorophenyl)-N-methyl-1-(1-pentylpiperidin-3-yl)methanamine
CID 174413272
N-(1-phenylethyl)piperazine-1-carboxamide
CID 22011928
N-[(1S)-1-phenylethyl]-1,4,7,10-tetrazacyclododecane-1-carboxamide
CID 102420042
(3R)-1-N-[(R)-cyclohexyl(phenyl)methyl]pyrrolidine-1,3-dicarboxamide
CID 94118979
(3S)-1-N-[(S)-cyclohexyl(phenyl)methyl]pyrrolidine-1,3-dicarboxamide
CID 94118978
(3R)-1-(2,2-diphenylethyl)piperidine-3-carboxamide
CID 26458129
1-[(S)-cyclopentyl-(3,4-dichlorophenyl)methyl]piperazine;dihydrochloride
CID 171274925
(3S)-1-(2,2-diphenylethyl)piperidine-3-carboxamide
CID 26458131
1-(3,4-dichlorophenyl)-2-(3-methylpiperidin-1-yl)ethanol
CID 82216087
(2S)-N-cyclopropyl-4-(2,2-diphenylethyl)piperazine-2-carboxamide
CID 95721803
1-[[(4-chlorophenyl)-cyclopentylmethyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122000934

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)-[(3R)-1-(2,2-diphenylethyl)piperidin-3-yl]methyl]piperazine-1-carboxamide?
The IUPAC name of N-[(3,4-dichlorophenyl)-[(3R)-1-(2,2-diphenylethyl)piperidin-3-yl]methyl]piperazine-1-carboxamide (CID 140563126) is N-[(3,4-dichlorophenyl)-[(3R)-1-(2,2-diphenylethyl)piperidin-3-yl]methyl]piperazine-1-carboxamide.
What is the SMILES notation for N-[(3,4-dichlorophenyl)-[(3R)-1-(2,2-diphenylethyl)piperidin-3-yl]methyl]piperazine-1-carboxamide?
The canonical SMILES for N-[(3,4-dichlorophenyl)-[(3R)-1-(2,2-diphenylethyl)piperidin-3-yl]methyl]piperazine-1-carboxamide is O=C(NC(c1ccc(Cl)c(Cl)c1)[C@@H]1CCCN(CC(c2ccccc2)c2ccccc2)C1)N1CCNCC1.
What is the InChIKey of N-[(3,4-dichlorophenyl)-[(3R)-1-(2,2-diphenylethyl)piperidin-3-yl]methyl]piperazine-1-carboxamide?
The InChIKey is JGFPVNJGCVTNMQ-FIQOPJFZSA-N. The full InChI is InChI=1S/C31H36Cl2N4O/c32-28-14-13-25(20-29(28)33)30(35-31(38)37-18-15-34-16-19-37)26-12-7-17-36(21-26)22-27(23-8-3-1-4-9-23)24-10-5-2-6-11-24/h1-6,8-11,13-14,20,26-27,30,34H,7,12,15-19,21-22H2,(H,35,38)/t26-,30?/m1/s1.
What are the key properties of N-[(3,4-dichlorophenyl)-[(3R)-1-(2,2-diphenylethyl)piperidin-3-yl]methyl]piperazine-1-carboxamide?
N-[(3,4-dichlorophenyl)-[(3R)-1-(2,2-diphenylethyl)piperidin-3-yl]methyl]piperazine-1-carboxamide has a molecular weight of 551.56 g/mol, XLogP of 6.19, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)-[(3R)-1-(2,2-diphenylethyl)piperidin-3-yl]methyl]piperazine-1-carboxamide is sourced from PubChem (CID 140563126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).