N-phenyl-4-(pyrrolidine-3-carbonylamino)piperidine-1-carboxamide;hydrochloride

C17H25ClN4O2 — CID 119700260

IUPACN-phenyl-4-(pyrrolidine-3-carbonylamino)piperidine-1-carboxamide;hydrochloride
SMILESCl.O=C(NC1CCN(C(=O)Nc2ccccc2)CC1)C1CCNC1
InChIInChI=1S/C17H24N4O2.ClH/c22-16(13-6-9-18-12-13)19-15-7-10-21(11-8-15)17(23)20-14-4-2-1-3-5-14;/h1-5,13,15,18H,6-12H2,(H,19,22)(H,20,23);1H
InChIKeyCOUMDQGCYZPWEQ-UHFFFAOYSA-N
MW352.87 g/mol
LogP1.83
Rot. Bonds3

About N-phenyl-4-(pyrrolidine-3-carbonylamino)piperidine-1-carboxamide;hydrochloride

N-phenyl-4-(pyrrolidine-3-carbonylamino)piperidine-1-carboxamide;hydrochloride (PubChem CID 119700260) has the molecular formula C17H25ClN4O2 and a molecular weight of 352.87 g/mol. Its IUPAC name is N-phenyl-4-(pyrrolidine-3-carbonylamino)piperidine-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-phenyl-4-(pyrrolidine-3-carbonylamino)piperidine-1-carboxamide;hydrochloride
PubChem CID119700260
Molecular FormulaC17H25ClN4O2
Molecular Weight352.87 g/mol
Exact Mass352.17
IUPAC NameN-phenyl-4-(pyrrolidine-3-carbonylamino)piperidine-1-carboxamide;hydrochloride
SMILESCl.O=C(NC1CCN(C(=O)Nc2ccccc2)CC1)C1CCNC1
InChIInChI=1S/C17H24N4O2.ClH/c22-16(13-6-9-18-12-13)19-15-7-10-21(11-8-15)17(23)20-14-4-2-1-3-5-14;/h1-5,13,15,18H,6-12H2,(H,19,22)(H,20,23);1H
InChIKeyCOUMDQGCYZPWEQ-UHFFFAOYSA-N
XLogP1.83
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.87
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-phenylcyclohexyl)pyrrolidine-3-carboxamide
CID 63005682
N-cyclopropyl-1-[1-(phenylcarbamoyl)piperidin-4-yl]piperidine-3-carboxamide
CID 45220733
4-[(2-chlorobenzoyl)amino]-N-phenylpiperidine-1-carboxamide
CID 51324372
N-(1-benzylpyrrolidin-3-yl)pyrrolidine-3-carboxamide
CID 63005959
1-(naphthalene-1-carbonyl)-N-[1-(phenylcarbamoyl)piperidin-4-yl]piperidine-4-carboxamide
CID 134042483
N-[1-(phenylcarbamoyl)piperidin-4-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119276912
4-(4-benzamidopiperidine-1-carbonyl)-N-phenylpiperidine-1-carboxamide
CID 33308938
1-N-phenyl-4-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-1,4-dicarboxamide
CID 138041926
4-[[(2S)-2-amino-3-methylbutanoyl]amino]-N-phenylpiperidine-1-carboxamide;hydrochloride
CID 119276932
3-N-(1-cyclopropylpiperidin-4-yl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 55561482
N-phenyl-4-(3-phenylprop-2-ynoylamino)piperidine-1-carboxamide
CID 71982071
N-(3-acetylphenyl)-4-(cyclohexanecarbonylamino)piperidine-1-carboxamide
CID 24792518

Frequently Asked Questions

What is the IUPAC name of N-phenyl-4-(pyrrolidine-3-carbonylamino)piperidine-1-carboxamide;hydrochloride?
The IUPAC name of N-phenyl-4-(pyrrolidine-3-carbonylamino)piperidine-1-carboxamide;hydrochloride (CID 119700260) is N-phenyl-4-(pyrrolidine-3-carbonylamino)piperidine-1-carboxamide;hydrochloride.
What is the SMILES notation for N-phenyl-4-(pyrrolidine-3-carbonylamino)piperidine-1-carboxamide;hydrochloride?
The canonical SMILES for N-phenyl-4-(pyrrolidine-3-carbonylamino)piperidine-1-carboxamide;hydrochloride is Cl.O=C(NC1CCN(C(=O)Nc2ccccc2)CC1)C1CCNC1.
What is the InChIKey of N-phenyl-4-(pyrrolidine-3-carbonylamino)piperidine-1-carboxamide;hydrochloride?
The InChIKey is COUMDQGCYZPWEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2.ClH/c22-16(13-6-9-18-12-13)19-15-7-10-21(11-8-15)17(23)20-14-4-2-1-3-5-14;/h1-5,13,15,18H,6-12H2,(H,19,22)(H,20,23);1H.
What are the key properties of N-phenyl-4-(pyrrolidine-3-carbonylamino)piperidine-1-carboxamide;hydrochloride?
N-phenyl-4-(pyrrolidine-3-carbonylamino)piperidine-1-carboxamide;hydrochloride has a molecular weight of 352.87 g/mol, XLogP of 1.83, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-4-(pyrrolidine-3-carbonylamino)piperidine-1-carboxamide;hydrochloride is sourced from PubChem (CID 119700260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).