1-piperidin-1-ylsulfonyl-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide

C17H26N4O3S — CID 3241570

IUPAC1-piperidin-1-ylsulfonyl-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
SMILESO=C(NCc1ccccn1)C1CCN(S(=O)(=O)N2CCCCC2)CC1
InChIInChI=1S/C17H26N4O3S/c22-17(19-14-16-6-2-3-9-18-16)15-7-12-21(13-8-15)25(23,24)20-10-4-1-5-11-20/h2-3,6,9,15H,1,4-5,7-8,10-14H2,(H,19,22)
InChIKeyJEIRPOVMZHYWCT-UHFFFAOYSA-N
MW366.49 g/mol
LogP1.14
Rot. Bonds5

About 1-piperidin-1-ylsulfonyl-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide

1-piperidin-1-ylsulfonyl-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide (PubChem CID 3241570) has the molecular formula C17H26N4O3S and a molecular weight of 366.49 g/mol. Its IUPAC name is 1-piperidin-1-ylsulfonyl-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-piperidin-1-ylsulfonyl-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
PubChem CID3241570
Molecular FormulaC17H26N4O3S
Molecular Weight366.49 g/mol
Exact Mass366.17
IUPAC Name1-piperidin-1-ylsulfonyl-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
SMILESO=C(NCc1ccccn1)C1CCN(S(=O)(=O)N2CCCCC2)CC1
InChIInChI=1S/C17H26N4O3S/c22-17(19-14-16-6-2-3-9-18-16)15-7-12-21(13-8-15)25(23,24)20-10-4-1-5-11-20/h2-3,6,9,15H,1,4-5,7-8,10-14H2,(H,19,22)
InChIKeyJEIRPOVMZHYWCT-UHFFFAOYSA-N
XLogP1.14
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N'-bis[(pyridin-2-yl)methyl]ethanediamide
CID 3113972
(2S)-2-amino-1-piperidin-1-yl-4-(pyridin-4-ylmethylamino)butan-1-one
CID 11346439
4-methyl-N-{3-methyl-1-oxo-1-[(pyridin-2-ylmethyl)amino]butan-2-yl}cyclohexanecarboxamide
CID 4058679
2-cyclohexyl-N-(pyridin-2-ylmethyl)acetamide
CID 806688
1-cyclopentyl-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 3618799
N-cyclopropyl-1-(4-pyridin-2-yl-3-pyridinyl)piperidine-4-carboxamide
CID 118450541
N-(pyridin-2-ylmethyl)cyclohexanecarboxamide
CID 823612
2,2,3,3-tetrafluoro-N,N'-bis(2-pyridinylmethyl)succinamide
CID 2164897
1-(phenylsulfonyl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 2976301
1-(methylsulfonyl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 2987428
N-butyl-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 3151179
N-(pyridin-3-ylmethyl)-1-(pyridin-3-ylsulfonyl)piperidine-4-carboxamide
CID 3242213

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-ylsulfonyl-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-piperidin-1-ylsulfonyl-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide (CID 3241570) is 1-piperidin-1-ylsulfonyl-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-piperidin-1-ylsulfonyl-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-piperidin-1-ylsulfonyl-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide is O=C(NCc1ccccn1)C1CCN(S(=O)(=O)N2CCCCC2)CC1.
What is the InChIKey of 1-piperidin-1-ylsulfonyl-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide?
The InChIKey is JEIRPOVMZHYWCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O3S/c22-17(19-14-16-6-2-3-9-18-16)15-7-12-21(13-8-15)25(23,24)20-10-4-1-5-11-20/h2-3,6,9,15H,1,4-5,7-8,10-14H2,(H,19,22).
What are the key properties of 1-piperidin-1-ylsulfonyl-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide?
1-piperidin-1-ylsulfonyl-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide has a molecular weight of 366.49 g/mol, XLogP of 1.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-ylsulfonyl-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 3241570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).