(2S,4S)-1-acetyl-4-(4-phenylphenyl)piperidine-2-carboxamide

C20H22N2O2 — CID 173092107

IUPAC(2S,4S)-1-acetyl-4-(4-phenylphenyl)piperidine-2-carboxamide
SMILESCC(=O)N1CC[C@H](c2ccc(-c3ccccc3)cc2)C[C@H]1C(N)=O
InChIInChI=1S/C20H22N2O2/c1-14(23)22-12-11-18(13-19(22)20(21)24)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-10,18-19H,11-13H2,1H3,(H2,21,24)/t18-,19-/m0/s1
InChIKeyIPIWUSONCTWGHS-OALUTQOASA-N
MW322.41 g/mol
LogP2.93
Rot. Bonds3

About (2S,4S)-1-acetyl-4-(4-phenylphenyl)piperidine-2-carboxamide

(2S,4S)-1-acetyl-4-(4-phenylphenyl)piperidine-2-carboxamide (PubChem CID 173092107) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is (2S,4S)-1-acetyl-4-(4-phenylphenyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-1-acetyl-4-(4-phenylphenyl)piperidine-2-carboxamide
PubChem CID173092107
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name(2S,4S)-1-acetyl-4-(4-phenylphenyl)piperidine-2-carboxamide
SMILESCC(=O)N1CC[C@H](c2ccc(-c3ccccc3)cc2)C[C@H]1C(N)=O
InChIInChI=1S/C20H22N2O2/c1-14(23)22-12-11-18(13-19(22)20(21)24)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-10,18-19H,11-13H2,1H3,(H2,21,24)/t18-,19-/m0/s1
InChIKeyIPIWUSONCTWGHS-OALUTQOASA-N
XLogP2.93
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-phenylphenyl)piperidine-1-carboxamide
CID 173092095
4-(4-phenylphenyl)piperidine-2-carboxamide
CID 65455321
(2S,4R)-1-methyl-4-phenylpiperidine-2-carboxylic acid;hydrochloride
CID 178190208
1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylpiperidine-2-carboxylic acid
CID 45073940
(2S)-1-acetyl-4-benzylpiperazine-2-carboxamide
CID 95811257
1-acetyl-4-benzylpiperazine-2-carboxamide
CID 110250206
1-(3-chlorocyclopentyl)-4-phenylbenzene
CID 65455523
3-amino-N-hydroxy-2-[4-(4-phenylphenyl)piperidin-1-yl]butanamide
CID 144791883
1-(2-methyl-4-phenylpyrrolidin-1-yl)ethanone
CID 15365754
1-(2-phenylbenzoyl)azetidine-2-carboxamide
CID 67018285
tert-butyl N-[3-(4-phenylphenyl)cyclohexyl]carbamate
CID 139378275
1-[(2S,4R)-2-benzoyl-4-phenylpiperidin-1-yl]-2,2-diethylbutan-1-one
CID 131862864

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-1-acetyl-4-(4-phenylphenyl)piperidine-2-carboxamide?
The IUPAC name of (2S,4S)-1-acetyl-4-(4-phenylphenyl)piperidine-2-carboxamide (CID 173092107) is (2S,4S)-1-acetyl-4-(4-phenylphenyl)piperidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-1-acetyl-4-(4-phenylphenyl)piperidine-2-carboxamide?
The canonical SMILES for (2S,4S)-1-acetyl-4-(4-phenylphenyl)piperidine-2-carboxamide is CC(=O)N1CC[C@H](c2ccc(-c3ccccc3)cc2)C[C@H]1C(N)=O.
What is the InChIKey of (2S,4S)-1-acetyl-4-(4-phenylphenyl)piperidine-2-carboxamide?
The InChIKey is IPIWUSONCTWGHS-OALUTQOASA-N. The full InChI is InChI=1S/C20H22N2O2/c1-14(23)22-12-11-18(13-19(22)20(21)24)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-10,18-19H,11-13H2,1H3,(H2,21,24)/t18-,19-/m0/s1.
What are the key properties of (2S,4S)-1-acetyl-4-(4-phenylphenyl)piperidine-2-carboxamide?
(2S,4S)-1-acetyl-4-(4-phenylphenyl)piperidine-2-carboxamide has a molecular weight of 322.41 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-1-acetyl-4-(4-phenylphenyl)piperidine-2-carboxamide is sourced from PubChem (CID 173092107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).