1-[(1S)-2-methyl-1-phenylpropyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide

C22H29N3O — CID 97006508

IUPAC1-[(1S)-2-methyl-1-phenylpropyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CCN([C@H](c3ccccc3)C(C)C)CC2)nc1
InChIInChI=1S/C22H29N3O/c1-16(2)21(18-7-5-4-6-8-18)25-13-11-19(12-14-25)22(26)24-20-10-9-17(3)15-23-20/h4-10,15-16,19,21H,11-14H2,1-3H3,(H,23,24,26)/t21-/m0/s1
InChIKeyZCUCCSSGXWUSQG-NRFANRHFSA-N
MW351.49 g/mol
LogP4.44
Rot. Bonds5

About 1-[(1S)-2-methyl-1-phenylpropyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide

1-[(1S)-2-methyl-1-phenylpropyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide (PubChem CID 97006508) has the molecular formula C22H29N3O and a molecular weight of 351.49 g/mol. Its IUPAC name is 1-[(1S)-2-methyl-1-phenylpropyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(1S)-2-methyl-1-phenylpropyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
PubChem CID97006508
Molecular FormulaC22H29N3O
Molecular Weight351.49 g/mol
Exact Mass351.23
IUPAC Name1-[(1S)-2-methyl-1-phenylpropyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CCN([C@H](c3ccccc3)C(C)C)CC2)nc1
InChIInChI=1S/C22H29N3O/c1-16(2)21(18-7-5-4-6-8-18)25-13-11-19(12-14-25)22(26)24-20-10-9-17(3)15-23-20/h4-10,15-16,19,21H,11-14H2,1-3H3,(H,23,24,26)/t21-/m0/s1
InChIKeyZCUCCSSGXWUSQG-NRFANRHFSA-N
XLogP4.44
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(5-methyl-2-pyridinyl)carbamoyl]piperidin-1-yl]propanoic acid
CID 119924327
N-(5-methyl-2-pyridinyl)-1-[1-oxo-1-(2-phenylsulfanylanilino)propan-2-yl]piperidine-4-carboxamide
CID 55921400
1-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 47066593
1-[2-(3-chloro-4-methoxyanilino)-2-oxo-1-phenylethyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55922832
N-(5-methyl-2-pyridinyl)-1-(2-propan-2-ylsulfonylpropanoyl)piperidine-4-carboxamide
CID 55993439
1-(2-aminobenzoyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide;dihydrochloride
CID 119946668
1-(3-cyanopyrazin-2-yl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 133283658
1-[2-[(2-chlorobenzoyl)amino]acetyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55932117
1-(6-methylpyridazin-3-yl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 121119029
N-(5-methyl-2-pyridinyl)-N'-(1-phenylethyl)oxamide
CID 44997207
1-(1-anilino-1-oxopropan-2-yl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
CID 55816221
(2R)-2-amino-N-(5-methyl-2-pyridinyl)-2-phenylacetamide
CID 61148111

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-2-methyl-1-phenylpropyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide?
The IUPAC name of 1-[(1S)-2-methyl-1-phenylpropyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide (CID 97006508) is 1-[(1S)-2-methyl-1-phenylpropyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[(1S)-2-methyl-1-phenylpropyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[(1S)-2-methyl-1-phenylpropyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide is Cc1ccc(NC(=O)C2CCN([C@H](c3ccccc3)C(C)C)CC2)nc1.
What is the InChIKey of 1-[(1S)-2-methyl-1-phenylpropyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide?
The InChIKey is ZCUCCSSGXWUSQG-NRFANRHFSA-N. The full InChI is InChI=1S/C22H29N3O/c1-16(2)21(18-7-5-4-6-8-18)25-13-11-19(12-14-25)22(26)24-20-10-9-17(3)15-23-20/h4-10,15-16,19,21H,11-14H2,1-3H3,(H,23,24,26)/t21-/m0/s1.
What are the key properties of 1-[(1S)-2-methyl-1-phenylpropyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide?
1-[(1S)-2-methyl-1-phenylpropyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide has a molecular weight of 351.49 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-2-methyl-1-phenylpropyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide is sourced from PubChem (CID 97006508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).