N-(5-methyl-2-pyridinyl)-1-(2-propan-2-ylsulfonylpropanoyl)piperidine-4-carboxamide

C18H27N3O4S — CID 55993439

IUPACN-(5-methyl-2-pyridinyl)-1-(2-propan-2-ylsulfonylpropanoyl)piperidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CCN(C(=O)C(C)S(=O)(=O)C(C)C)CC2)nc1
InChIInChI=1S/C18H27N3O4S/c1-12(2)26(24,25)14(4)18(23)21-9-7-15(8-10-21)17(22)20-16-6-5-13(3)11-19-16/h5-6,11-12,14-15H,7-10H2,1-4H3,(H,19,20,22)
InChIKeyAPZZQMZVRKJZLB-UHFFFAOYSA-N
MW381.50 g/mol
LogP1.78
Rot. Bonds5

About N-(5-methyl-2-pyridinyl)-1-(2-propan-2-ylsulfonylpropanoyl)piperidine-4-carboxamide

N-(5-methyl-2-pyridinyl)-1-(2-propan-2-ylsulfonylpropanoyl)piperidine-4-carboxamide (PubChem CID 55993439) has the molecular formula C18H27N3O4S and a molecular weight of 381.50 g/mol. Its IUPAC name is N-(5-methyl-2-pyridinyl)-1-(2-propan-2-ylsulfonylpropanoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-2-pyridinyl)-1-(2-propan-2-ylsulfonylpropanoyl)piperidine-4-carboxamide
PubChem CID55993439
Molecular FormulaC18H27N3O4S
Molecular Weight381.50 g/mol
Exact Mass381.17
IUPAC NameN-(5-methyl-2-pyridinyl)-1-(2-propan-2-ylsulfonylpropanoyl)piperidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CCN(C(=O)C(C)S(=O)(=O)C(C)C)CC2)nc1
InChIInChI=1S/C18H27N3O4S/c1-12(2)26(24,25)14(4)18(23)21-9-7-15(8-10-21)17(22)20-16-6-5-13(3)11-19-16/h5-6,11-12,14-15H,7-10H2,1-4H3,(H,19,20,22)
InChIKeyAPZZQMZVRKJZLB-UHFFFAOYSA-N
XLogP1.78
TPSA96.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(5-methyl-2-pyridinyl)carbamoyl]piperidin-1-yl]propanoic acid
CID 119924327
1-(4-chlorobenzoyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 24980605
1-[(1S)-2-methyl-1-phenylpropyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 97006508
1-(2-aminobenzoyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide;dihydrochloride
CID 119946668
1-[2-[3-(4-methoxyphenyl)prop-2-enoylamino]propanoyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55809815
1-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 47066593
1-[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55809688
1-[2-[(2-chlorobenzoyl)amino]acetyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55932117
1-[2-(2,5-dimethyl-1,3-thiazol-4-yl)acetyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 136515469
1-(6-methylpyridazin-3-yl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 121119029
1-(5-amino-2-methylbenzoyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide;dihydrochloride
CID 120643636
1-(4-ethylphenyl)sulfonyl-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 87032919

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-2-pyridinyl)-1-(2-propan-2-ylsulfonylpropanoyl)piperidine-4-carboxamide?
The IUPAC name of N-(5-methyl-2-pyridinyl)-1-(2-propan-2-ylsulfonylpropanoyl)piperidine-4-carboxamide (CID 55993439) is N-(5-methyl-2-pyridinyl)-1-(2-propan-2-ylsulfonylpropanoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(5-methyl-2-pyridinyl)-1-(2-propan-2-ylsulfonylpropanoyl)piperidine-4-carboxamide?
The canonical SMILES for N-(5-methyl-2-pyridinyl)-1-(2-propan-2-ylsulfonylpropanoyl)piperidine-4-carboxamide is Cc1ccc(NC(=O)C2CCN(C(=O)C(C)S(=O)(=O)C(C)C)CC2)nc1.
What is the InChIKey of N-(5-methyl-2-pyridinyl)-1-(2-propan-2-ylsulfonylpropanoyl)piperidine-4-carboxamide?
The InChIKey is APZZQMZVRKJZLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O4S/c1-12(2)26(24,25)14(4)18(23)21-9-7-15(8-10-21)17(22)20-16-6-5-13(3)11-19-16/h5-6,11-12,14-15H,7-10H2,1-4H3,(H,19,20,22).
What are the key properties of N-(5-methyl-2-pyridinyl)-1-(2-propan-2-ylsulfonylpropanoyl)piperidine-4-carboxamide?
N-(5-methyl-2-pyridinyl)-1-(2-propan-2-ylsulfonylpropanoyl)piperidine-4-carboxamide has a molecular weight of 381.50 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-2-pyridinyl)-1-(2-propan-2-ylsulfonylpropanoyl)piperidine-4-carboxamide is sourced from PubChem (CID 55993439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).