N-benzyl-1-(2-pyrrolidin-2-ylacetyl)piperidine-4-carboxamide

C19H27N3O2 — CID 119692936

IUPACN-benzyl-1-(2-pyrrolidin-2-ylacetyl)piperidine-4-carboxamide
SMILESO=C(NCc1ccccc1)C1CCN(C(=O)CC2CCCN2)CC1
InChIInChI=1S/C19H27N3O2/c23-18(13-17-7-4-10-20-17)22-11-8-16(9-12-22)19(24)21-14-15-5-2-1-3-6-15/h1-3,5-6,16-17,20H,4,7-14H2,(H,21,24)
InChIKeyQQSAIZYYWXVEQY-UHFFFAOYSA-N
MW329.44 g/mol
LogP1.68
Rot. Bonds5

About N-benzyl-1-(2-pyrrolidin-2-ylacetyl)piperidine-4-carboxamide

N-benzyl-1-(2-pyrrolidin-2-ylacetyl)piperidine-4-carboxamide (PubChem CID 119692936) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is N-benzyl-1-(2-pyrrolidin-2-ylacetyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-(2-pyrrolidin-2-ylacetyl)piperidine-4-carboxamide
PubChem CID119692936
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC NameN-benzyl-1-(2-pyrrolidin-2-ylacetyl)piperidine-4-carboxamide
SMILESO=C(NCc1ccccc1)C1CCN(C(=O)CC2CCCN2)CC1
InChIInChI=1S/C19H27N3O2/c23-18(13-17-7-4-10-20-17)22-11-8-16(9-12-22)19(24)21-14-15-5-2-1-3-6-15/h1-3,5-6,16-17,20H,4,7-14H2,(H,21,24)
InChIKeyQQSAIZYYWXVEQY-UHFFFAOYSA-N
XLogP1.68
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(2-phenylethyl)piperidin-1-yl]-2-pyrrolidin-2-ylethanone
CID 119698792
N-benzyl-1-[(3R)-piperidine-3-carbonyl]piperidine-4-carboxamide
CID 99843263
1-(3-aminopropanoyl)-N-benzylpiperidine-4-carboxamide;hydrochloride
CID 119273066
N-pentyl-1-(2-pyrrolidin-2-ylacetyl)piperidine-4-carboxamide
CID 119720622
N-benzyl-1-[3-(2-hydroxyphenyl)propanoyl]piperidine-4-carboxamide
CID 31588009
1-[4-(2-phenylethyl)piperazin-1-yl]-2-pyrrolidin-2-ylethanone;dihydrochloride
CID 119838033
1-(4-benzylsulfonylpiperazin-1-yl)-2-pyrrolidin-2-ylethanone;hydrochloride
CID 119687257
N-benzylcyclobutanecarboxamide
CID 730128
N-benzylcyclopentanecarboxamide
CID 835634
1-(azocan-1-yl)-2-pyrrolidin-2-ylethanone
CID 61372180
N-benzyl-1-(pyrrolidine-3-carbonyl)piperidine-4-carboxamide;hydrochloride
CID 119692939
N-benzyl-1-[2-(2-methoxyethylamino)acetyl]piperidine-4-carboxamide
CID 119692938

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(2-pyrrolidin-2-ylacetyl)piperidine-4-carboxamide?
The IUPAC name of N-benzyl-1-(2-pyrrolidin-2-ylacetyl)piperidine-4-carboxamide (CID 119692936) is N-benzyl-1-(2-pyrrolidin-2-ylacetyl)piperidine-4-carboxamide.
What is the SMILES notation for N-benzyl-1-(2-pyrrolidin-2-ylacetyl)piperidine-4-carboxamide?
The canonical SMILES for N-benzyl-1-(2-pyrrolidin-2-ylacetyl)piperidine-4-carboxamide is O=C(NCc1ccccc1)C1CCN(C(=O)CC2CCCN2)CC1.
What is the InChIKey of N-benzyl-1-(2-pyrrolidin-2-ylacetyl)piperidine-4-carboxamide?
The InChIKey is QQSAIZYYWXVEQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c23-18(13-17-7-4-10-20-17)22-11-8-16(9-12-22)19(24)21-14-15-5-2-1-3-6-15/h1-3,5-6,16-17,20H,4,7-14H2,(H,21,24).
What are the key properties of N-benzyl-1-(2-pyrrolidin-2-ylacetyl)piperidine-4-carboxamide?
N-benzyl-1-(2-pyrrolidin-2-ylacetyl)piperidine-4-carboxamide has a molecular weight of 329.44 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(2-pyrrolidin-2-ylacetyl)piperidine-4-carboxamide is sourced from PubChem (CID 119692936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).