1-methylsulfonyl-N-(5-piperidin-1-yl-2-pyridinyl)piperidine-2-carboxamide

C17H26N4O3S — CID 60571418

IUPAC1-methylsulfonyl-N-(5-piperidin-1-yl-2-pyridinyl)piperidine-2-carboxamide
SMILESCS(=O)(=O)N1CCCCC1C(=O)Nc1ccc(N2CCCCC2)cn1
InChIInChI=1S/C17H26N4O3S/c1-25(23,24)21-12-6-3-7-15(21)17(22)19-16-9-8-14(13-18-16)20-10-4-2-5-11-20/h8-9,13,15H,2-7,10-12H2,1H3,(H,18,19,22)
InChIKeyGASJNOZRXMSLAK-UHFFFAOYSA-N
MW366.49 g/mol
LogP1.82
Rot. Bonds4

About 1-methylsulfonyl-N-(5-piperidin-1-yl-2-pyridinyl)piperidine-2-carboxamide

1-methylsulfonyl-N-(5-piperidin-1-yl-2-pyridinyl)piperidine-2-carboxamide (PubChem CID 60571418) has the molecular formula C17H26N4O3S and a molecular weight of 366.49 g/mol. Its IUPAC name is 1-methylsulfonyl-N-(5-piperidin-1-yl-2-pyridinyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name1-methylsulfonyl-N-(5-piperidin-1-yl-2-pyridinyl)piperidine-2-carboxamide
PubChem CID60571418
Molecular FormulaC17H26N4O3S
Molecular Weight366.49 g/mol
Exact Mass366.17
IUPAC Name1-methylsulfonyl-N-(5-piperidin-1-yl-2-pyridinyl)piperidine-2-carboxamide
SMILESCS(=O)(=O)N1CCCCC1C(=O)Nc1ccc(N2CCCCC2)cn1
InChIInChI=1S/C17H26N4O3S/c1-25(23,24)21-12-6-3-7-15(21)17(22)19-16-9-8-14(13-18-16)20-10-4-2-5-11-20/h8-9,13,15H,2-7,10-12H2,1H3,(H,18,19,22)
InChIKeyGASJNOZRXMSLAK-UHFFFAOYSA-N
XLogP1.82
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-1-(4-methylphenyl)sulfonyl-N-(5-pyrrolidin-1-yl-2-pyridinyl)pyrrolidine-2-carboxamide
CID 32947927
N-[5-(azepan-1-yl)-2-pyridinyl]cyclobutanecarboxamide
CID 113031088
1-(4-acetylphenyl)sulfonyl-N-(5-morpholin-4-yl-2-pyridinyl)piperidine-2-carboxamide
CID 55909975
N-[5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-pyridinyl]cyclohexanecarboxamide
CID 113029109
N-[5-(azepan-1-yl)-2-pyridinyl]propanamide
CID 39072195
cis-(1R,3S)-2,2-dimethyl-3-[(5-pyrrolidin-1-yl-2-pyridinyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 122065870
3-[(1-methylsulfonylpiperidine-2-carbonyl)amino]-1H-pyrazole-5-carboxylic acid
CID 64527275
N-[5-[4-(3-chlorophenyl)piperazin-1-yl]-2-pyridinyl]cyclohexanecarboxamide
CID 113029443
N-[5-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-pyridinyl]cyclopropanecarboxamide
CID 75420475
2-N,5-N-bis(5-piperidin-1-yl-2-pyridinyl)thiophene-2,5-dicarboxamide
CID 112827563
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-1-methylsulfonylpiperidine-2-carboxamide
CID 166215680
6-[[1-(benzenesulfonyl)piperidine-2-carbonyl]amino]-N-methylpyridine-3-carboxamide
CID 167955369

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-N-(5-piperidin-1-yl-2-pyridinyl)piperidine-2-carboxamide?
The IUPAC name of 1-methylsulfonyl-N-(5-piperidin-1-yl-2-pyridinyl)piperidine-2-carboxamide (CID 60571418) is 1-methylsulfonyl-N-(5-piperidin-1-yl-2-pyridinyl)piperidine-2-carboxamide.
What is the SMILES notation for 1-methylsulfonyl-N-(5-piperidin-1-yl-2-pyridinyl)piperidine-2-carboxamide?
The canonical SMILES for 1-methylsulfonyl-N-(5-piperidin-1-yl-2-pyridinyl)piperidine-2-carboxamide is CS(=O)(=O)N1CCCCC1C(=O)Nc1ccc(N2CCCCC2)cn1.
What is the InChIKey of 1-methylsulfonyl-N-(5-piperidin-1-yl-2-pyridinyl)piperidine-2-carboxamide?
The InChIKey is GASJNOZRXMSLAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O3S/c1-25(23,24)21-12-6-3-7-15(21)17(22)19-16-9-8-14(13-18-16)20-10-4-2-5-11-20/h8-9,13,15H,2-7,10-12H2,1H3,(H,18,19,22).
What are the key properties of 1-methylsulfonyl-N-(5-piperidin-1-yl-2-pyridinyl)piperidine-2-carboxamide?
1-methylsulfonyl-N-(5-piperidin-1-yl-2-pyridinyl)piperidine-2-carboxamide has a molecular weight of 366.49 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-N-(5-piperidin-1-yl-2-pyridinyl)piperidine-2-carboxamide is sourced from PubChem (CID 60571418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).