1-[(4-chlorophenyl)methylsulfonyl]-N-[2-(morpholine-4-carbonyl)phenyl]piperidine-3-carboxamide

C24H28ClN3O5S — CID 53289429

IUPAC1-[(4-chlorophenyl)methylsulfonyl]-N-[2-(morpholine-4-carbonyl)phenyl]piperidine-3-carboxamide
SMILESO=C(Nc1ccccc1C(=O)N1CCOCC1)C1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C24H28ClN3O5S/c25-20-9-7-18(8-10-20)17-34(31,32)28-11-3-4-19(16-28)23(29)26-22-6-2-1-5-21(22)24(30)27-12-14-33-15-13-27/h1-2,5-10,19H,3-4,11-17H2,(H,26,29)
InChIKeyMXZKYNVYXQFYEU-UHFFFAOYSA-N
MW506.02 g/mol
LogP2.99
Rot. Bonds6

About 1-[(4-chlorophenyl)methylsulfonyl]-N-[2-(morpholine-4-carbonyl)phenyl]piperidine-3-carboxamide

1-[(4-chlorophenyl)methylsulfonyl]-N-[2-(morpholine-4-carbonyl)phenyl]piperidine-3-carboxamide (PubChem CID 53289429) has the molecular formula C24H28ClN3O5S and a molecular weight of 506.02 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methylsulfonyl]-N-[2-(morpholine-4-carbonyl)phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methylsulfonyl]-N-[2-(morpholine-4-carbonyl)phenyl]piperidine-3-carboxamide
PubChem CID53289429
Molecular FormulaC24H28ClN3O5S
Molecular Weight506.02 g/mol
Exact Mass505.14
IUPAC Name1-[(4-chlorophenyl)methylsulfonyl]-N-[2-(morpholine-4-carbonyl)phenyl]piperidine-3-carboxamide
SMILESO=C(Nc1ccccc1C(=O)N1CCOCC1)C1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C24H28ClN3O5S/c25-20-9-7-18(8-10-20)17-34(31,32)28-11-3-4-19(16-28)23(29)26-22-6-2-1-5-21(22)24(30)27-12-14-33-15-13-27/h1-2,5-10,19H,3-4,11-17H2,(H,26,29)
InChIKeyMXZKYNVYXQFYEU-UHFFFAOYSA-N
XLogP2.99
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.02
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[(4-chlorophenyl)methylsulfonyl]-N-[2-(morpholine-4-carbonyl)phenyl]piperidine-3-carboxamide with MolForge

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Related Compounds

(3R)-1-[(3,4-dichlorophenyl)methylsulfonyl]-N-[2-(morpholine-4-carbonyl)phenyl]piperidine-3-carboxamide
CID 124561397
methyl 2-[[(3S)-1-[(4-chlorophenyl)methylsulfonyl]piperidine-3-carbonyl]amino]benzoate
CID 92641920
(3R)-1-(4-chlorophenyl)sulfonyl-N-[2-(piperidine-1-carbonyl)phenyl]piperidine-3-carboxamide
CID 100674955
(3R)-1-[(4-chlorophenyl)methylsulfonyl]-N-(2-propan-2-ylphenyl)piperidine-3-carboxamide
CID 92642013
(3S)-1-[(4-chlorophenyl)methylsulfonyl]-N-(2,6-dimethylphenyl)piperidine-3-carboxamide
CID 92641894
(3S)-1-[(4-fluorophenyl)methyl]-N-[2-(morpholine-4-carbonyl)phenyl]piperidine-3-carboxamide
CID 38097501
(3R)-1-[(4-fluorophenyl)methyl]-N-[2-(morpholine-4-carbonyl)phenyl]piperidine-3-carboxamide
CID 38097496
(3S)-N-(3-chlorophenyl)-1-[(4-chlorophenyl)methylsulfonyl]piperidine-3-carboxamide
CID 92641906
N-(3-chloro-2-methylphenyl)-1-[(4-fluorophenyl)methylsulfonyl]piperidine-3-carboxamide
CID 50811103
(3S)-1-methylsulfonyl-N-[2-(piperidine-1-carbonyl)phenyl]piperidine-3-carboxamide
CID 33170416
1-[(4-chlorophenyl)methylsulfonyl]-N-(4-ethylphenyl)piperidine-3-carboxamide
CID 50810963
1-benzylsulfonyl-N-(2-bromophenyl)piperidine-3-carboxamide
CID 50808819

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methylsulfonyl]-N-[2-(morpholine-4-carbonyl)phenyl]piperidine-3-carboxamide?
The IUPAC name of 1-[(4-chlorophenyl)methylsulfonyl]-N-[2-(morpholine-4-carbonyl)phenyl]piperidine-3-carboxamide (CID 53289429) is 1-[(4-chlorophenyl)methylsulfonyl]-N-[2-(morpholine-4-carbonyl)phenyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[(4-chlorophenyl)methylsulfonyl]-N-[2-(morpholine-4-carbonyl)phenyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[(4-chlorophenyl)methylsulfonyl]-N-[2-(morpholine-4-carbonyl)phenyl]piperidine-3-carboxamide is O=C(Nc1ccccc1C(=O)N1CCOCC1)C1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2)C1.
What is the InChIKey of 1-[(4-chlorophenyl)methylsulfonyl]-N-[2-(morpholine-4-carbonyl)phenyl]piperidine-3-carboxamide?
The InChIKey is MXZKYNVYXQFYEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClN3O5S/c25-20-9-7-18(8-10-20)17-34(31,32)28-11-3-4-19(16-28)23(29)26-22-6-2-1-5-21(22)24(30)27-12-14-33-15-13-27/h1-2,5-10,19H,3-4,11-17H2,(H,26,29).
What are the key properties of 1-[(4-chlorophenyl)methylsulfonyl]-N-[2-(morpholine-4-carbonyl)phenyl]piperidine-3-carboxamide?
1-[(4-chlorophenyl)methylsulfonyl]-N-[2-(morpholine-4-carbonyl)phenyl]piperidine-3-carboxamide has a molecular weight of 506.02 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methylsulfonyl]-N-[2-(morpholine-4-carbonyl)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 53289429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).