1-naphthalen-2-ylsulfonyl-N-[1-oxo-1-(propylamino)propan-2-yl]piperidine-4-carboxamide

C22H29N3O4S — CID 46520815

IUPAC1-naphthalen-2-ylsulfonyl-N-[1-oxo-1-(propylamino)propan-2-yl]piperidine-4-carboxamide
SMILESCCCNC(=O)C(C)NC(=O)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C22H29N3O4S/c1-3-12-23-21(26)16(2)24-22(27)18-10-13-25(14-11-18)30(28,29)20-9-8-17-6-4-5-7-19(17)15-20/h4-9,15-16,18H,3,10-14H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyYENIESUWQQIYHY-UHFFFAOYSA-N
MW431.56 g/mol
LogP2.27
Rot. Bonds7

About 1-naphthalen-2-ylsulfonyl-N-[1-oxo-1-(propylamino)propan-2-yl]piperidine-4-carboxamide

1-naphthalen-2-ylsulfonyl-N-[1-oxo-1-(propylamino)propan-2-yl]piperidine-4-carboxamide (PubChem CID 46520815) has the molecular formula C22H29N3O4S and a molecular weight of 431.56 g/mol. Its IUPAC name is 1-naphthalen-2-ylsulfonyl-N-[1-oxo-1-(propylamino)propan-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-naphthalen-2-ylsulfonyl-N-[1-oxo-1-(propylamino)propan-2-yl]piperidine-4-carboxamide
PubChem CID46520815
Molecular FormulaC22H29N3O4S
Molecular Weight431.56 g/mol
Exact Mass431.19
IUPAC Name1-naphthalen-2-ylsulfonyl-N-[1-oxo-1-(propylamino)propan-2-yl]piperidine-4-carboxamide
SMILESCCCNC(=O)C(C)NC(=O)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C22H29N3O4S/c1-3-12-23-21(26)16(2)24-22(27)18-10-13-25(14-11-18)30(28,29)20-9-8-17-6-4-5-7-19(17)15-20/h4-9,15-16,18H,3,10-14H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyYENIESUWQQIYHY-UHFFFAOYSA-N
XLogP2.27
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.56
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methylbutan-2-yl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 43001842
N-hexyl-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 32645883
(2S)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-N-propylpropanamide
CID 9493871
N-(2-hydroxyethyl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 3911093
1-naphthalen-2-ylsulfonyl-N-prop-2-ynylpiperidine-4-carboxamide
CID 27741102
N-(2-ethylphenyl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 26208569
N-[(1S)-1-(4-chlorophenyl)ethyl]-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 26071216
1-naphthalen-2-ylsulfonyl-N-pentan-2-ylpiperidine-3-carboxamide
CID 4684175
1-methylsulfonyl-N-[1-oxo-1-(propylamino)propan-2-yl]piperidine-4-carboxamide
CID 46516639
N-[[2-(diethylaminomethyl)phenyl]methyl]-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 41438993
N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 5389629
N-[2-(2-methoxyphenyl)ethyl]-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 26181194

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-2-ylsulfonyl-N-[1-oxo-1-(propylamino)propan-2-yl]piperidine-4-carboxamide?
The IUPAC name of 1-naphthalen-2-ylsulfonyl-N-[1-oxo-1-(propylamino)propan-2-yl]piperidine-4-carboxamide (CID 46520815) is 1-naphthalen-2-ylsulfonyl-N-[1-oxo-1-(propylamino)propan-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-naphthalen-2-ylsulfonyl-N-[1-oxo-1-(propylamino)propan-2-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-naphthalen-2-ylsulfonyl-N-[1-oxo-1-(propylamino)propan-2-yl]piperidine-4-carboxamide is CCCNC(=O)C(C)NC(=O)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1.
What is the InChIKey of 1-naphthalen-2-ylsulfonyl-N-[1-oxo-1-(propylamino)propan-2-yl]piperidine-4-carboxamide?
The InChIKey is YENIESUWQQIYHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O4S/c1-3-12-23-21(26)16(2)24-22(27)18-10-13-25(14-11-18)30(28,29)20-9-8-17-6-4-5-7-19(17)15-20/h4-9,15-16,18H,3,10-14H2,1-2H3,(H,23,26)(H,24,27).
What are the key properties of 1-naphthalen-2-ylsulfonyl-N-[1-oxo-1-(propylamino)propan-2-yl]piperidine-4-carboxamide?
1-naphthalen-2-ylsulfonyl-N-[1-oxo-1-(propylamino)propan-2-yl]piperidine-4-carboxamide has a molecular weight of 431.56 g/mol, XLogP of 2.27, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-2-ylsulfonyl-N-[1-oxo-1-(propylamino)propan-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 46520815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).