N-[2-(aminomethyl)cyclopentyl]-1-(3,4-dichlorobenzoyl)piperidine-3-carboxamide;hydrochloride

C19H26Cl3N3O2 — CID 119604378

IUPACN-[2-(aminomethyl)cyclopentyl]-1-(3,4-dichlorobenzoyl)piperidine-3-carboxamide;hydrochloride
SMILESCl.NCC1CCCC1NC(=O)C1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C19H25Cl2N3O2.ClH/c20-15-7-6-12(9-16(15)21)19(26)24-8-2-4-14(11-24)18(25)23-17-5-1-3-13(17)10-22;/h6-7,9,13-14,17H,1-5,8,10-11,22H2,(H,23,25);1H
InChIKeyZCEWCOJNDMGPDL-UHFFFAOYSA-N
MW434.80 g/mol
LogP3.51
Rot. Bonds4

About N-[2-(aminomethyl)cyclopentyl]-1-(3,4-dichlorobenzoyl)piperidine-3-carboxamide;hydrochloride

N-[2-(aminomethyl)cyclopentyl]-1-(3,4-dichlorobenzoyl)piperidine-3-carboxamide;hydrochloride (PubChem CID 119604378) has the molecular formula C19H26Cl3N3O2 and a molecular weight of 434.80 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-1-(3,4-dichlorobenzoyl)piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-1-(3,4-dichlorobenzoyl)piperidine-3-carboxamide;hydrochloride
PubChem CID119604378
Molecular FormulaC19H26Cl3N3O2
Molecular Weight434.80 g/mol
Exact Mass433.11
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-1-(3,4-dichlorobenzoyl)piperidine-3-carboxamide;hydrochloride
SMILESCl.NCC1CCCC1NC(=O)C1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C19H25Cl2N3O2.ClH/c20-15-7-6-12(9-16(15)21)19(26)24-8-2-4-14(11-24)18(25)23-17-5-1-3-13(17)10-22;/h6-7,9,13-14,17H,1-5,8,10-11,22H2,(H,23,25);1H
InChIKeyZCEWCOJNDMGPDL-UHFFFAOYSA-N
XLogP3.51
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.80
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(aminomethyl)cyclohexyl]-1-benzoylpiperidine-3-carboxamide
CID 119612151
(3R)-1-(3,4-dichlorobenzoyl)-N-[(1R,2R)-2-[(2-methylbenzoyl)amino]cyclohexyl]piperidine-3-carboxamide
CID 93013796
(2S)-2-[[1-(3,4-dichlorobenzoyl)piperidine-3-carbonyl]amino]propanoic acid
CID 119237802
1-(3,4-dichlorobenzoyl)-N-(3-hydroxypropyl)piperidine-3-carboxamide
CID 78863646
1-(3,4-dichlorobenzoyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)piperidine-3-carboxamide
CID 55633629
N-[2-(azepan-1-yl)ethyl]-1-(3,4-dichlorobenzoyl)piperidine-3-carboxamide
CID 55632873
N-(2-aminoethyl)-1-(3-chloro-4-methylbenzoyl)piperidine-3-carboxamide;hydrochloride
CID 119480975
1-(3,4-dichlorobenzoyl)-N-(2-hydroxypropyl)piperidine-3-carboxamide
CID 78862407
1-(3,4-dichlorobenzoyl)-N-[2-(ethylamino)-2-oxoethyl]piperidine-3-carboxamide
CID 55633427
N-(2-aminoethyl)-1-(3-chloro-4-methylbenzoyl)piperidine-3-carboxamide
CID 119480976
[1-[1-(3,4-dichlorobenzoyl)piperidine-3-carbonyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 55632984
1-[1-(3,4-dichlorobenzoyl)piperidine-3-carbonyl]-N-phenylpiperidine-3-carboxamide
CID 55633097

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-1-(3,4-dichlorobenzoyl)piperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-1-(3,4-dichlorobenzoyl)piperidine-3-carboxamide;hydrochloride (CID 119604378) is N-[2-(aminomethyl)cyclopentyl]-1-(3,4-dichlorobenzoyl)piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-1-(3,4-dichlorobenzoyl)piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-1-(3,4-dichlorobenzoyl)piperidine-3-carboxamide;hydrochloride is Cl.NCC1CCCC1NC(=O)C1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-1-(3,4-dichlorobenzoyl)piperidine-3-carboxamide;hydrochloride?
The InChIKey is ZCEWCOJNDMGPDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25Cl2N3O2.ClH/c20-15-7-6-12(9-16(15)21)19(26)24-8-2-4-14(11-24)18(25)23-17-5-1-3-13(17)10-22;/h6-7,9,13-14,17H,1-5,8,10-11,22H2,(H,23,25);1H.
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-1-(3,4-dichlorobenzoyl)piperidine-3-carboxamide;hydrochloride?
N-[2-(aminomethyl)cyclopentyl]-1-(3,4-dichlorobenzoyl)piperidine-3-carboxamide;hydrochloride has a molecular weight of 434.80 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-1-(3,4-dichlorobenzoyl)piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119604378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).