N-[2-oxo-1-[1-(2-phenylacetyl)piperidin-4-yl]-2-pyrrolidin-1-ylethyl]cyclopropanecarboxamide

C23H31N3O3 — CID 46037057

IUPACN-[2-oxo-1-[1-(2-phenylacetyl)piperidin-4-yl]-2-pyrrolidin-1-ylethyl]cyclopropanecarboxamide
SMILESO=C(NC(C(=O)N1CCCC1)C1CCN(C(=O)Cc2ccccc2)CC1)C1CC1
InChIInChI=1S/C23H31N3O3/c27-20(16-17-6-2-1-3-7-17)25-14-10-18(11-15-25)21(24-22(28)19-8-9-19)23(29)26-12-4-5-13-26/h1-3,6-7,18-19,21H,4-5,8-16H2,(H,24,28)
InChIKeyKTIZTCWVPBZKLB-UHFFFAOYSA-N
MW397.52 g/mol
LogP1.98
Rot. Bonds6

About N-[2-oxo-1-[1-(2-phenylacetyl)piperidin-4-yl]-2-pyrrolidin-1-ylethyl]cyclopropanecarboxamide

N-[2-oxo-1-[1-(2-phenylacetyl)piperidin-4-yl]-2-pyrrolidin-1-ylethyl]cyclopropanecarboxamide (PubChem CID 46037057) has the molecular formula C23H31N3O3 and a molecular weight of 397.52 g/mol. Its IUPAC name is N-[2-oxo-1-[1-(2-phenylacetyl)piperidin-4-yl]-2-pyrrolidin-1-ylethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-oxo-1-[1-(2-phenylacetyl)piperidin-4-yl]-2-pyrrolidin-1-ylethyl]cyclopropanecarboxamide
PubChem CID46037057
Molecular FormulaC23H31N3O3
Molecular Weight397.52 g/mol
Exact Mass397.24
IUPAC NameN-[2-oxo-1-[1-(2-phenylacetyl)piperidin-4-yl]-2-pyrrolidin-1-ylethyl]cyclopropanecarboxamide
SMILESO=C(NC(C(=O)N1CCCC1)C1CCN(C(=O)Cc2ccccc2)CC1)C1CC1
InChIInChI=1S/C23H31N3O3/c27-20(16-17-6-2-1-3-7-17)25-14-10-18(11-15-25)21(24-22(28)19-8-9-19)23(29)26-12-4-5-13-26/h1-3,6-7,18-19,21H,4-5,8-16H2,(H,24,28)
InChIKeyKTIZTCWVPBZKLB-UHFFFAOYSA-N
XLogP1.98
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[(1S)-2-oxo-1-[1-(2-phenylacetyl)piperidin-4-yl]-2-piperidin-1-ylethyl]benzamide
CID 93196527
2-methyl-N-[2-oxo-1-[1-(2-phenylacetyl)piperidin-4-yl]-2-piperidin-1-ylethyl]benzamide
CID 46019098
1-(2-phenylacetyl)-N-(1-phenylethyl)piperidine-4-carboxamide
CID 113004094
4-fluoro-N-[(1R)-2-morpholin-4-yl-2-oxo-1-[1-(2-phenylacetyl)piperidin-4-yl]ethyl]benzamide
CID 93182730
N-cycloheptyl-1-(2-phenylacetyl)piperidine-4-carboxamide
CID 2300454
2-cyclopropyl-1-[4-(2-phenylacetyl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone
CID 154795037
N-[1-(2-phenylacetyl)piperidin-4-yl]cyclohexanecarboxamide
CID 2817995
N-cyclohexyl-1-(2-phenylacetyl)piperidine-4-carboxamide
CID 84514889
1-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-phenylethanone
CID 113005998
1-(azetidin-1-yl)-2-phenylethanone
CID 18670940
N-[1-(2-phenylacetyl)piperidin-4-yl]propanamide
CID 110820721
N-[1-[1-(2-methylpropanoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]benzamide
CID 46020232

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-1-[1-(2-phenylacetyl)piperidin-4-yl]-2-pyrrolidin-1-ylethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-oxo-1-[1-(2-phenylacetyl)piperidin-4-yl]-2-pyrrolidin-1-ylethyl]cyclopropanecarboxamide (CID 46037057) is N-[2-oxo-1-[1-(2-phenylacetyl)piperidin-4-yl]-2-pyrrolidin-1-ylethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-oxo-1-[1-(2-phenylacetyl)piperidin-4-yl]-2-pyrrolidin-1-ylethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-oxo-1-[1-(2-phenylacetyl)piperidin-4-yl]-2-pyrrolidin-1-ylethyl]cyclopropanecarboxamide is O=C(NC(C(=O)N1CCCC1)C1CCN(C(=O)Cc2ccccc2)CC1)C1CC1.
What is the InChIKey of N-[2-oxo-1-[1-(2-phenylacetyl)piperidin-4-yl]-2-pyrrolidin-1-ylethyl]cyclopropanecarboxamide?
The InChIKey is KTIZTCWVPBZKLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O3/c27-20(16-17-6-2-1-3-7-17)25-14-10-18(11-15-25)21(24-22(28)19-8-9-19)23(29)26-12-4-5-13-26/h1-3,6-7,18-19,21H,4-5,8-16H2,(H,24,28).
What are the key properties of N-[2-oxo-1-[1-(2-phenylacetyl)piperidin-4-yl]-2-pyrrolidin-1-ylethyl]cyclopropanecarboxamide?
N-[2-oxo-1-[1-(2-phenylacetyl)piperidin-4-yl]-2-pyrrolidin-1-ylethyl]cyclopropanecarboxamide has a molecular weight of 397.52 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-1-[1-(2-phenylacetyl)piperidin-4-yl]-2-pyrrolidin-1-ylethyl]cyclopropanecarboxamide is sourced from PubChem (CID 46037057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).