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

C25H31N3O2 — CID 86888388

IUPACN-benzyl-1-(2-phenyl-2-pyrrolidin-1-ylacetyl)piperidine-4-carboxamide
SMILESO=C(NCc1ccccc1)C1CCN(C(=O)C(c2ccccc2)N2CCCC2)CC1
InChIInChI=1S/C25H31N3O2/c29-24(26-19-20-9-3-1-4-10-20)22-13-17-28(18-14-22)25(30)23(27-15-7-8-16-27)21-11-5-2-6-12-21/h1-6,9-12,22-23H,7-8,13-19H2,(H,26,29)
InChIKeyKPRFCEOYXHOTIL-UHFFFAOYSA-N
MW405.54 g/mol
LogP3.38
Rot. Bonds6

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

N-benzyl-1-(2-phenyl-2-pyrrolidin-1-ylacetyl)piperidine-4-carboxamide (PubChem CID 86888388) has the molecular formula C25H31N3O2 and a molecular weight of 405.54 g/mol. Its IUPAC name is N-benzyl-1-(2-phenyl-2-pyrrolidin-1-ylacetyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-(2-phenyl-2-pyrrolidin-1-ylacetyl)piperidine-4-carboxamide
PubChem CID86888388
Molecular FormulaC25H31N3O2
Molecular Weight405.54 g/mol
Exact Mass405.24
IUPAC NameN-benzyl-1-(2-phenyl-2-pyrrolidin-1-ylacetyl)piperidine-4-carboxamide
SMILESO=C(NCc1ccccc1)C1CCN(C(=O)C(c2ccccc2)N2CCCC2)CC1
InChIInChI=1S/C25H31N3O2/c29-24(26-19-20-9-3-1-4-10-20)22-13-17-28(18-14-22)25(30)23(27-15-7-8-16-27)21-11-5-2-6-12-21/h1-6,9-12,22-23H,7-8,13-19H2,(H,26,29)
InChIKeyKPRFCEOYXHOTIL-UHFFFAOYSA-N
XLogP3.38
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.54
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-1-(2-phenylpropanoyl)piperidine-4-carboxamide
CID 11035504
N-benzyl-1-(2-methoxypropanoyl)piperidine-4-carboxamide
CID 87024119
2-phenyl-1-piperidin-1-yl-2-pyrrolidin-1-ylethanone
CID 47010733
1-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]-N-phenylpiperidine-4-carboxamide
CID 9134665
2-phenyl-2-piperidin-1-yl-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone
CID 46978264
N-benzylcyclobutanecarboxamide
CID 730128
N-benzylcyclopentanecarboxamide
CID 835634
ethyl 2-[[1-[2-(4-methylpiperazin-1-yl)-2-phenylacetyl]piperidine-4-carbonyl]amino]acetate
CID 71845794
N-(2-hydroxyphenyl)-1-[(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]piperidine-4-carboxamide
CID 41099612
1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetyl]-N-pentylpiperidine-4-carboxamide
CID 56573027
1-(2-amino-4-methylsulfanylbutanoyl)-N-benzylpiperidine-4-carboxamide
CID 119273087
1-(3-aminopropanoyl)-N-benzylpiperidine-4-carboxamide;hydrochloride
CID 119273066

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(2-phenyl-2-pyrrolidin-1-ylacetyl)piperidine-4-carboxamide?
The IUPAC name of N-benzyl-1-(2-phenyl-2-pyrrolidin-1-ylacetyl)piperidine-4-carboxamide (CID 86888388) is N-benzyl-1-(2-phenyl-2-pyrrolidin-1-ylacetyl)piperidine-4-carboxamide.
What is the SMILES notation for N-benzyl-1-(2-phenyl-2-pyrrolidin-1-ylacetyl)piperidine-4-carboxamide?
The canonical SMILES for N-benzyl-1-(2-phenyl-2-pyrrolidin-1-ylacetyl)piperidine-4-carboxamide is O=C(NCc1ccccc1)C1CCN(C(=O)C(c2ccccc2)N2CCCC2)CC1.
What is the InChIKey of N-benzyl-1-(2-phenyl-2-pyrrolidin-1-ylacetyl)piperidine-4-carboxamide?
The InChIKey is KPRFCEOYXHOTIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O2/c29-24(26-19-20-9-3-1-4-10-20)22-13-17-28(18-14-22)25(30)23(27-15-7-8-16-27)21-11-5-2-6-12-21/h1-6,9-12,22-23H,7-8,13-19H2,(H,26,29).
What are the key properties of N-benzyl-1-(2-phenyl-2-pyrrolidin-1-ylacetyl)piperidine-4-carboxamide?
N-benzyl-1-(2-phenyl-2-pyrrolidin-1-ylacetyl)piperidine-4-carboxamide has a molecular weight of 405.54 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(2-phenyl-2-pyrrolidin-1-ylacetyl)piperidine-4-carboxamide is sourced from PubChem (CID 86888388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).