1-[(4-chlorophenyl)methylsulfonyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-3-carboxamide

C23H27ClN2O3S — CID 53289497

IUPAC1-[(4-chlorophenyl)methylsulfonyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-3-carboxamide
SMILESO=C(NC1CCCc2ccccc21)C1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C23H27ClN2O3S/c24-20-12-10-17(11-13-20)16-30(28,29)26-14-4-7-19(15-26)23(27)25-22-9-3-6-18-5-1-2-8-21(18)22/h1-2,5,8,10-13,19,22H,3-4,6-7,9,14-16H2,(H,25,27)
InChIKeyYTUPUCVCJYKHGX-UHFFFAOYSA-N
MW447.00 g/mol
LogP4.08
Rot. Bonds5

About 1-[(4-chlorophenyl)methylsulfonyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-3-carboxamide

1-[(4-chlorophenyl)methylsulfonyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-3-carboxamide (PubChem CID 53289497) has the molecular formula C23H27ClN2O3S and a molecular weight of 447.00 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methylsulfonyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methylsulfonyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-3-carboxamide
PubChem CID53289497
Molecular FormulaC23H27ClN2O3S
Molecular Weight447.00 g/mol
Exact Mass446.14
IUPAC Name1-[(4-chlorophenyl)methylsulfonyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-3-carboxamide
SMILESO=C(NC1CCCc2ccccc21)C1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C23H27ClN2O3S/c24-20-12-10-17(11-13-20)16-30(28,29)26-14-4-7-19(15-26)23(27)25-22-9-3-6-18-5-1-2-8-21(18)22/h1-2,5,8,10-13,19,22H,3-4,6-7,9,14-16H2,(H,25,27)
InChIKeyYTUPUCVCJYKHGX-UHFFFAOYSA-N
XLogP4.08
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.00
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2,6-dichlorophenyl)methylsulfonyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-3-carboxamide
CID 46770311
(3S)-1-[(2,4-dichlorophenyl)methylsulfonyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-3-carboxamide
CID 92672956
(3R)-1-(4-chlorophenyl)sulfonyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-3-carboxamide
CID 93302727
(3S)-1-(benzenesulfonyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-3-carboxamide
CID 35763626
1-(4-chlorophenyl)sulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide
CID 3761947
4-(piperidin-1-ylsulfonylmethyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 99132083
1-[(2,4-dichlorophenyl)methylsulfonyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide
CID 30386446
(3R)-1-[(4-chlorophenyl)methylsulfonyl]piperidine-3-carboxamide
CID 92641842
1-[(4-chlorophenyl)methylsulfonyl]-N-ethylpiperidine-3-carboxamide
CID 53289476
1-(5-methylthiophen-2-yl)sulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-3-carboxamide
CID 46521602
(3R)-1-[(4-chlorophenyl)methylsulfonyl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 92641975
1-ethylsulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide
CID 17435645

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methylsulfonyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-3-carboxamide?
The IUPAC name of 1-[(4-chlorophenyl)methylsulfonyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-3-carboxamide (CID 53289497) is 1-[(4-chlorophenyl)methylsulfonyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[(4-chlorophenyl)methylsulfonyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-3-carboxamide?
The canonical SMILES for 1-[(4-chlorophenyl)methylsulfonyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-3-carboxamide is O=C(NC1CCCc2ccccc21)C1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2)C1.
What is the InChIKey of 1-[(4-chlorophenyl)methylsulfonyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-3-carboxamide?
The InChIKey is YTUPUCVCJYKHGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN2O3S/c24-20-12-10-17(11-13-20)16-30(28,29)26-14-4-7-19(15-26)23(27)25-22-9-3-6-18-5-1-2-8-21(18)22/h1-2,5,8,10-13,19,22H,3-4,6-7,9,14-16H2,(H,25,27).
What are the key properties of 1-[(4-chlorophenyl)methylsulfonyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-3-carboxamide?
1-[(4-chlorophenyl)methylsulfonyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-3-carboxamide has a molecular weight of 447.00 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methylsulfonyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-3-carboxamide is sourced from PubChem (CID 53289497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).