2-methyl-N-[(1S)-2-oxo-1-[1-(2-phenylacetyl)piperidin-4-yl]-2-piperidin-1-ylethyl]benzamide

C28H35N3O3 — CID 93196527

IUPAC2-methyl-N-[(1S)-2-oxo-1-[1-(2-phenylacetyl)piperidin-4-yl]-2-piperidin-1-ylethyl]benzamide
SMILESCc1ccccc1C(=O)N[C@H](C(=O)N1CCCCC1)C1CCN(C(=O)Cc2ccccc2)CC1
InChIInChI=1S/C28H35N3O3/c1-21-10-6-7-13-24(21)27(33)29-26(28(34)31-16-8-3-9-17-31)23-14-18-30(19-15-23)25(32)20-22-11-4-2-5-12-22/h2,4-7,10-13,23,26H,3,8-9,14-20H2,1H3,(H,29,33)/t26-/m0/s1
InChIKeyWAEIXXKQCGINPD-SANMLTNESA-N
MW461.61 g/mol
LogP3.59
Rot. Bonds6

About 2-methyl-N-[(1S)-2-oxo-1-[1-(2-phenylacetyl)piperidin-4-yl]-2-piperidin-1-ylethyl]benzamide

2-methyl-N-[(1S)-2-oxo-1-[1-(2-phenylacetyl)piperidin-4-yl]-2-piperidin-1-ylethyl]benzamide (PubChem CID 93196527) has the molecular formula C28H35N3O3 and a molecular weight of 461.61 g/mol. Its IUPAC name is 2-methyl-N-[(1S)-2-oxo-1-[1-(2-phenylacetyl)piperidin-4-yl]-2-piperidin-1-ylethyl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[(1S)-2-oxo-1-[1-(2-phenylacetyl)piperidin-4-yl]-2-piperidin-1-ylethyl]benzamide
PubChem CID93196527
Molecular FormulaC28H35N3O3
Molecular Weight461.61 g/mol
Exact Mass461.27
IUPAC Name2-methyl-N-[(1S)-2-oxo-1-[1-(2-phenylacetyl)piperidin-4-yl]-2-piperidin-1-ylethyl]benzamide
SMILESCc1ccccc1C(=O)N[C@H](C(=O)N1CCCCC1)C1CCN(C(=O)Cc2ccccc2)CC1
InChIInChI=1S/C28H35N3O3/c1-21-10-6-7-13-24(21)27(33)29-26(28(34)31-16-8-3-9-17-31)23-14-18-30(19-15-23)25(32)20-22-11-4-2-5-12-22/h2,4-7,10-13,23,26H,3,8-9,14-20H2,1H3,(H,29,33)/t26-/m0/s1
InChIKeyWAEIXXKQCGINPD-SANMLTNESA-N
XLogP3.59
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.61
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[2-oxo-1-[1-(2-phenylacetyl)piperidin-4-yl]-2-piperidin-1-ylethyl]benzamide
CID 46019098
2-methyl-N-[(1R)-1-[1-(3-methylbutanoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]benzamide
CID 93196510
N-[1-(1-acetylpiperidin-4-yl)-2-oxo-2-piperidin-1-ylethyl]-2-methylbenzamide
CID 46019084
2-methyl-N-[1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]benzamide
CID 46019100
N-[2-(butan-2-ylamino)-2-oxo-1-[1-(2-phenylacetyl)piperidin-4-yl]ethyl]-2-methylbenzamide
CID 42840332
N-[(1S)-1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]-2-methylbenzamide
CID 93196523
N-[2-oxo-1-[1-(2-phenylacetyl)piperidin-4-yl]-2-pyrrolidin-1-ylethyl]cyclopropanecarboxamide
CID 46037057
N-[(1R)-1-[1-(ethylcarbamothioyl)piperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]-2-methylbenzamide
CID 93200425
2-methyl-N-[(1S)-1-[1-(4-methylbenzoyl)piperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]benzamide
CID 93198018
2-methyl-N-[2-oxo-2-piperidin-1-yl-1-[1-(thiophene-2-carbonyl)piperidin-4-yl]ethyl]benzamide
CID 46019086
2-chloro-N-[(1S)-1-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]benzamide
CID 93197158
N-[(1R)-1-[1-(4-methoxybenzoyl)piperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]-2-methylbenzamide
CID 93198013

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1S)-2-oxo-1-[1-(2-phenylacetyl)piperidin-4-yl]-2-piperidin-1-ylethyl]benzamide?
The IUPAC name of 2-methyl-N-[(1S)-2-oxo-1-[1-(2-phenylacetyl)piperidin-4-yl]-2-piperidin-1-ylethyl]benzamide (CID 93196527) is 2-methyl-N-[(1S)-2-oxo-1-[1-(2-phenylacetyl)piperidin-4-yl]-2-piperidin-1-ylethyl]benzamide.
What is the SMILES notation for 2-methyl-N-[(1S)-2-oxo-1-[1-(2-phenylacetyl)piperidin-4-yl]-2-piperidin-1-ylethyl]benzamide?
The canonical SMILES for 2-methyl-N-[(1S)-2-oxo-1-[1-(2-phenylacetyl)piperidin-4-yl]-2-piperidin-1-ylethyl]benzamide is Cc1ccccc1C(=O)N[C@H](C(=O)N1CCCCC1)C1CCN(C(=O)Cc2ccccc2)CC1.
What is the InChIKey of 2-methyl-N-[(1S)-2-oxo-1-[1-(2-phenylacetyl)piperidin-4-yl]-2-piperidin-1-ylethyl]benzamide?
The InChIKey is WAEIXXKQCGINPD-SANMLTNESA-N. The full InChI is InChI=1S/C28H35N3O3/c1-21-10-6-7-13-24(21)27(33)29-26(28(34)31-16-8-3-9-17-31)23-14-18-30(19-15-23)25(32)20-22-11-4-2-5-12-22/h2,4-7,10-13,23,26H,3,8-9,14-20H2,1H3,(H,29,33)/t26-/m0/s1.
What are the key properties of 2-methyl-N-[(1S)-2-oxo-1-[1-(2-phenylacetyl)piperidin-4-yl]-2-piperidin-1-ylethyl]benzamide?
2-methyl-N-[(1S)-2-oxo-1-[1-(2-phenylacetyl)piperidin-4-yl]-2-piperidin-1-ylethyl]benzamide has a molecular weight of 461.61 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1S)-2-oxo-1-[1-(2-phenylacetyl)piperidin-4-yl]-2-piperidin-1-ylethyl]benzamide is sourced from PubChem (CID 93196527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).