1-(4-methylbenzoyl)-N-[(2S)-3-methylbutan-2-yl]piperidine-4-carboxamide

C19H28N2O2 — CID 94794763

IUPAC1-(4-methylbenzoyl)-N-[(2S)-3-methylbutan-2-yl]piperidine-4-carboxamide
SMILESCc1ccc(C(=O)N2CCC(C(=O)N[C@@H](C)C(C)C)CC2)cc1
InChIInChI=1S/C19H28N2O2/c1-13(2)15(4)20-18(22)16-9-11-21(12-10-16)19(23)17-7-5-14(3)6-8-17/h5-8,13,15-16H,9-12H2,1-4H3,(H,20,22)/t15-/m0/s1
InChIKeyMAFIBFAFBINHFL-HNNXBMFYSA-N
MW316.45 g/mol
LogP3.01
Rot. Bonds4

About 1-(4-methylbenzoyl)-N-[(2S)-3-methylbutan-2-yl]piperidine-4-carboxamide

1-(4-methylbenzoyl)-N-[(2S)-3-methylbutan-2-yl]piperidine-4-carboxamide (PubChem CID 94794763) has the molecular formula C19H28N2O2 and a molecular weight of 316.45 g/mol. Its IUPAC name is 1-(4-methylbenzoyl)-N-[(2S)-3-methylbutan-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-methylbenzoyl)-N-[(2S)-3-methylbutan-2-yl]piperidine-4-carboxamide
PubChem CID94794763
Molecular FormulaC19H28N2O2
Molecular Weight316.45 g/mol
Exact Mass316.22
IUPAC Name1-(4-methylbenzoyl)-N-[(2S)-3-methylbutan-2-yl]piperidine-4-carboxamide
SMILESCc1ccc(C(=O)N2CCC(C(=O)N[C@@H](C)C(C)C)CC2)cc1
InChIInChI=1S/C19H28N2O2/c1-13(2)15(4)20-18(22)16-9-11-21(12-10-16)19(23)17-7-5-14(3)6-8-17/h5-8,13,15-16H,9-12H2,1-4H3,(H,20,22)/t15-/m0/s1
InChIKeyMAFIBFAFBINHFL-HNNXBMFYSA-N
XLogP3.01
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-methylbutan-2-yl)-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 46689590
1-(4-methylbenzoyl)-N-(1-phenylethyl)piperidine-4-carboxamide
CID 113004083
1-(4-methylbenzoyl)-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
CID 113006809
[1-(4-methylbenzoyl)piperidin-4-yl]-(4-methylphenyl)methanone
CID 2741000
(2S)-2-[[1-(4-methylbenzoyl)piperidine-4-carbonyl]amino]-4-methylsulfanylbutanoic acid
CID 131922805
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-(4-methylbenzoyl)piperidine-4-carboxamide
CID 131896032
N-(4-acetylphenyl)-1-(4-methylbenzoyl)piperidine-4-carboxamide
CID 113007858
N-[1-(4-methylbenzoyl)piperidin-4-yl]cyclobutanecarboxamide
CID 110820327
(2S)-2-[(1-benzoylpiperidine-4-carbonyl)amino]propanoic acid
CID 119238348
N-propan-2-yl-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 17440941
N-[(2S)-3-methylbutan-2-yl]-1-[(4-methylphenyl)methylsulfonyl]piperidine-4-carboxamide
CID 100568345
(4-methylphenyl)-(4-methylpiperidin-1-yl)methanone
CID 723102

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylbenzoyl)-N-[(2S)-3-methylbutan-2-yl]piperidine-4-carboxamide?
The IUPAC name of 1-(4-methylbenzoyl)-N-[(2S)-3-methylbutan-2-yl]piperidine-4-carboxamide (CID 94794763) is 1-(4-methylbenzoyl)-N-[(2S)-3-methylbutan-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-methylbenzoyl)-N-[(2S)-3-methylbutan-2-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-(4-methylbenzoyl)-N-[(2S)-3-methylbutan-2-yl]piperidine-4-carboxamide is Cc1ccc(C(=O)N2CCC(C(=O)N[C@@H](C)C(C)C)CC2)cc1.
What is the InChIKey of 1-(4-methylbenzoyl)-N-[(2S)-3-methylbutan-2-yl]piperidine-4-carboxamide?
The InChIKey is MAFIBFAFBINHFL-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-13(2)15(4)20-18(22)16-9-11-21(12-10-16)19(23)17-7-5-14(3)6-8-17/h5-8,13,15-16H,9-12H2,1-4H3,(H,20,22)/t15-/m0/s1.
What are the key properties of 1-(4-methylbenzoyl)-N-[(2S)-3-methylbutan-2-yl]piperidine-4-carboxamide?
1-(4-methylbenzoyl)-N-[(2S)-3-methylbutan-2-yl]piperidine-4-carboxamide has a molecular weight of 316.45 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylbenzoyl)-N-[(2S)-3-methylbutan-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 94794763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).