1-(4-methoxyphenyl)sulfonyl-N-[1-oxo-1-(pyridin-2-ylmethylamino)propan-2-yl]piperidine-3-carboxamide

C22H28N4O5S — CID 71710457

IUPAC1-(4-methoxyphenyl)sulfonyl-N-[1-oxo-1-(pyridin-2-ylmethylamino)propan-2-yl]piperidine-3-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCCC(C(=O)NC(C)C(=O)NCc3ccccn3)C2)cc1
InChIInChI=1S/C22H28N4O5S/c1-16(21(27)24-14-18-7-3-4-12-23-18)25-22(28)17-6-5-13-26(15-17)32(29,30)20-10-8-19(31-2)9-11-20/h3-4,7-12,16-17H,5-6,13-15H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyZGLGOUHKTRUGCV-UHFFFAOYSA-N
MW460.56 g/mol
LogP1.31
Rot. Bonds8

About 1-(4-methoxyphenyl)sulfonyl-N-[1-oxo-1-(pyridin-2-ylmethylamino)propan-2-yl]piperidine-3-carboxamide

1-(4-methoxyphenyl)sulfonyl-N-[1-oxo-1-(pyridin-2-ylmethylamino)propan-2-yl]piperidine-3-carboxamide (PubChem CID 71710457) has the molecular formula C22H28N4O5S and a molecular weight of 460.56 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)sulfonyl-N-[1-oxo-1-(pyridin-2-ylmethylamino)propan-2-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-methoxyphenyl)sulfonyl-N-[1-oxo-1-(pyridin-2-ylmethylamino)propan-2-yl]piperidine-3-carboxamide
PubChem CID71710457
Molecular FormulaC22H28N4O5S
Molecular Weight460.56 g/mol
Exact Mass460.18
IUPAC Name1-(4-methoxyphenyl)sulfonyl-N-[1-oxo-1-(pyridin-2-ylmethylamino)propan-2-yl]piperidine-3-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCCC(C(=O)NC(C)C(=O)NCc3ccccn3)C2)cc1
InChIInChI=1S/C22H28N4O5S/c1-16(21(27)24-14-18-7-3-4-12-23-18)25-22(28)17-6-5-13-26(15-17)32(29,30)20-10-8-19(31-2)9-11-20/h3-4,7-12,16-17H,5-6,13-15H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyZGLGOUHKTRUGCV-UHFFFAOYSA-N
XLogP1.31
TPSA117.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.56
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(3R)-1-(4-fluorophenyl)sulfonyl-N-[(2S)-1-oxo-1-(pyridin-2-ylmethylamino)propan-2-yl]piperidine-3-carboxamide
CID 41010253
(3R)-N-[(2R)-1-(benzylamino)-1-oxopropan-2-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 97038069
(3S)-N-[(2S)-1-anilino-1-oxopropan-2-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 40961230
(3S)-N-[(2R)-1-anilino-1-oxopropan-2-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 97263010
N-[1-(cycloheptylamino)-1-oxopropan-2-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 56737600
1-(4-methoxyphenyl)sulfonyl-N-[1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]piperidine-3-carboxamide
CID 71710462
1-(benzenesulfonyl)-N-[1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl]piperidine-3-carboxamide
CID 73259233
1-(4-fluorophenyl)sulfonyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 2969235
(3S)-1-(4-methoxyphenyl)sulfonyl-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide
CID 40917737
(3R)-N-[(2R)-butan-2-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 6549496
(3R)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 99130969
(3R)-1-(4-acetamidophenyl)sulfonyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 41009115

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)sulfonyl-N-[1-oxo-1-(pyridin-2-ylmethylamino)propan-2-yl]piperidine-3-carboxamide?
The IUPAC name of 1-(4-methoxyphenyl)sulfonyl-N-[1-oxo-1-(pyridin-2-ylmethylamino)propan-2-yl]piperidine-3-carboxamide (CID 71710457) is 1-(4-methoxyphenyl)sulfonyl-N-[1-oxo-1-(pyridin-2-ylmethylamino)propan-2-yl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(4-methoxyphenyl)sulfonyl-N-[1-oxo-1-(pyridin-2-ylmethylamino)propan-2-yl]piperidine-3-carboxamide?
The canonical SMILES for 1-(4-methoxyphenyl)sulfonyl-N-[1-oxo-1-(pyridin-2-ylmethylamino)propan-2-yl]piperidine-3-carboxamide is COc1ccc(S(=O)(=O)N2CCCC(C(=O)NC(C)C(=O)NCc3ccccn3)C2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)sulfonyl-N-[1-oxo-1-(pyridin-2-ylmethylamino)propan-2-yl]piperidine-3-carboxamide?
The InChIKey is ZGLGOUHKTRUGCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O5S/c1-16(21(27)24-14-18-7-3-4-12-23-18)25-22(28)17-6-5-13-26(15-17)32(29,30)20-10-8-19(31-2)9-11-20/h3-4,7-12,16-17H,5-6,13-15H2,1-2H3,(H,24,27)(H,25,28).
What are the key properties of 1-(4-methoxyphenyl)sulfonyl-N-[1-oxo-1-(pyridin-2-ylmethylamino)propan-2-yl]piperidine-3-carboxamide?
1-(4-methoxyphenyl)sulfonyl-N-[1-oxo-1-(pyridin-2-ylmethylamino)propan-2-yl]piperidine-3-carboxamide has a molecular weight of 460.56 g/mol, XLogP of 1.31, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)sulfonyl-N-[1-oxo-1-(pyridin-2-ylmethylamino)propan-2-yl]piperidine-3-carboxamide is sourced from PubChem (CID 71710457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).