1-(2-phenylacetyl)-N-(2-piperidin-3-ylethyl)pyrrolidine-2-carboxamide;hydrochloride

C20H30ClN3O2 — CID 119557113

IUPAC1-(2-phenylacetyl)-N-(2-piperidin-3-ylethyl)pyrrolidine-2-carboxamide;hydrochloride
SMILESCl.O=C(NCCC1CCCNC1)C1CCCN1C(=O)Cc1ccccc1
InChIInChI=1S/C20H29N3O2.ClH/c24-19(14-16-6-2-1-3-7-16)23-13-5-9-18(23)20(25)22-12-10-17-8-4-11-21-15-17;/h1-3,6-7,17-18,21H,4-5,8-15H2,(H,22,25);1H
InChIKeyAVGCEMNXYLNCET-UHFFFAOYSA-N
MW379.93 g/mol
LogP2.15
Rot. Bonds6

About 1-(2-phenylacetyl)-N-(2-piperidin-3-ylethyl)pyrrolidine-2-carboxamide;hydrochloride

1-(2-phenylacetyl)-N-(2-piperidin-3-ylethyl)pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 119557113) has the molecular formula C20H30ClN3O2 and a molecular weight of 379.93 g/mol. Its IUPAC name is 1-(2-phenylacetyl)-N-(2-piperidin-3-ylethyl)pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(2-phenylacetyl)-N-(2-piperidin-3-ylethyl)pyrrolidine-2-carboxamide;hydrochloride
PubChem CID119557113
Molecular FormulaC20H30ClN3O2
Molecular Weight379.93 g/mol
Exact Mass379.20
IUPAC Name1-(2-phenylacetyl)-N-(2-piperidin-3-ylethyl)pyrrolidine-2-carboxamide;hydrochloride
SMILESCl.O=C(NCCC1CCCNC1)C1CCCN1C(=O)Cc1ccccc1
InChIInChI=1S/C20H29N3O2.ClH/c24-19(14-16-6-2-1-3-7-16)23-13-5-9-18(23)20(25)22-12-10-17-8-4-11-21-15-17;/h1-3,6-7,17-18,21H,4-5,8-15H2,(H,22,25);1H
InChIKeyAVGCEMNXYLNCET-UHFFFAOYSA-N
XLogP2.15
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.93
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-N-(2-piperidin-3-ylethyl)piperidine-2-carboxamide;dihydrochloride
CID 119558347
1-butanoyl-N-(2-piperidin-3-ylethyl)pyrrolidine-2-carboxamide
CID 119555252
1-(benzenesulfonyl)-N-(2-piperidin-3-ylethyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119559231
1-benzyl-N-(2-pyrrolidin-3-ylethyl)pyrrolidine-2-carboxamide;dihydrochloride
CID 119538060
N-[2-oxo-2-(2-piperidin-3-ylethylamino)ethyl]-2-phenylacetamide
CID 119555564
1-butanoyl-N-(2-piperidin-3-ylethyl)piperidine-2-carboxamide;hydrochloride
CID 119555253
1-butanoyl-N-(2-pyrrolidin-3-ylethyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119533681
ethyl 3-[[(2S)-1-(2-phenylacetyl)pyrrolidine-2-carbonyl]amino]propanoate
CID 10496803
N-(2-morpholin-4-ylethyl)-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
CID 47717787
1-(3,3-dimethylbutanoyl)-N-(2-pyrrolidin-3-ylethyl)pyrrolidine-2-carboxamide
CID 119535072
1-(2-phenylacetyl)-N-(2-thiophen-2-ylethyl)pyrrolidine-2-carboxamide
CID 47719268
N-cyclopropyl-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
CID 47164597

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylacetyl)-N-(2-piperidin-3-ylethyl)pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of 1-(2-phenylacetyl)-N-(2-piperidin-3-ylethyl)pyrrolidine-2-carboxamide;hydrochloride (CID 119557113) is 1-(2-phenylacetyl)-N-(2-piperidin-3-ylethyl)pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for 1-(2-phenylacetyl)-N-(2-piperidin-3-ylethyl)pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for 1-(2-phenylacetyl)-N-(2-piperidin-3-ylethyl)pyrrolidine-2-carboxamide;hydrochloride is Cl.O=C(NCCC1CCCNC1)C1CCCN1C(=O)Cc1ccccc1.
What is the InChIKey of 1-(2-phenylacetyl)-N-(2-piperidin-3-ylethyl)pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is AVGCEMNXYLNCET-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2.ClH/c24-19(14-16-6-2-1-3-7-16)23-13-5-9-18(23)20(25)22-12-10-17-8-4-11-21-15-17;/h1-3,6-7,17-18,21H,4-5,8-15H2,(H,22,25);1H.
What are the key properties of 1-(2-phenylacetyl)-N-(2-piperidin-3-ylethyl)pyrrolidine-2-carboxamide;hydrochloride?
1-(2-phenylacetyl)-N-(2-piperidin-3-ylethyl)pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 379.93 g/mol, XLogP of 2.15, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylacetyl)-N-(2-piperidin-3-ylethyl)pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119557113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).