1-(2-chloro-4-morpholin-4-ylsulfonylphenyl)-N-propylpiperidine-4-carboxamide

C19H28ClN3O4S — CID 3227693

IUPAC1-(2-chloro-4-morpholin-4-ylsulfonylphenyl)-N-propylpiperidine-4-carboxamide
SMILESCCCNC(=O)C1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2Cl)CC1
InChIInChI=1S/C19H28ClN3O4S/c1-2-7-21-19(24)15-5-8-22(9-6-15)18-4-3-16(14-17(18)20)28(25,26)23-10-12-27-13-11-23/h3-4,14-15H,2,5-13H2,1H3,(H,21,24)
InChIKeyMGIAWSBQMSLHQK-UHFFFAOYSA-N
MW429.97 g/mol
LogP2.10
Rot. Bonds6

About 1-(2-chloro-4-morpholin-4-ylsulfonylphenyl)-N-propylpiperidine-4-carboxamide

1-(2-chloro-4-morpholin-4-ylsulfonylphenyl)-N-propylpiperidine-4-carboxamide (PubChem CID 3227693) has the molecular formula C19H28ClN3O4S and a molecular weight of 429.97 g/mol. Its IUPAC name is 1-(2-chloro-4-morpholin-4-ylsulfonylphenyl)-N-propylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-chloro-4-morpholin-4-ylsulfonylphenyl)-N-propylpiperidine-4-carboxamide
PubChem CID3227693
Molecular FormulaC19H28ClN3O4S
Molecular Weight429.97 g/mol
Exact Mass429.15
IUPAC Name1-(2-chloro-4-morpholin-4-ylsulfonylphenyl)-N-propylpiperidine-4-carboxamide
SMILESCCCNC(=O)C1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2Cl)CC1
InChIInChI=1S/C19H28ClN3O4S/c1-2-7-21-19(24)15-5-8-22(9-6-15)18-4-3-16(14-17(18)20)28(25,26)23-10-12-27-13-11-23/h3-4,14-15H,2,5-13H2,1H3,(H,21,24)
InChIKeyMGIAWSBQMSLHQK-UHFFFAOYSA-N
XLogP2.10
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.97
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-chloro-4-morpholin-4-ylsulfonylphenyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 650322
N-hexyl-1-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)piperidine-4-carboxamide
CID 26264672
1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-N-propylpiperidine-4-carboxamide
CID 26823088
1-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)-N-pentan-2-ylpiperidine-4-carboxamide
CID 24639365
1-(3,4-dimethoxyphenyl)sulfonyl-N-propylpiperidine-4-carboxamide
CID 27256239
N-butyl-1-(4-chloro-3-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 113002724
N-heptan-2-yl-1-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)piperidine-4-carboxamide
CID 42971314
1-acetyl-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]piperidine-4-carboxamide
CID 108736634
N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)cyclobutanecarboxamide
CID 7551095
N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)cyclopentanecarboxamide
CID 3938418
N-butyl-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 26590850
1-(1-ethylindol-5-yl)sulfonyl-N-propylpiperidine-4-carboxamide
CID 20966183

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-morpholin-4-ylsulfonylphenyl)-N-propylpiperidine-4-carboxamide?
The IUPAC name of 1-(2-chloro-4-morpholin-4-ylsulfonylphenyl)-N-propylpiperidine-4-carboxamide (CID 3227693) is 1-(2-chloro-4-morpholin-4-ylsulfonylphenyl)-N-propylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(2-chloro-4-morpholin-4-ylsulfonylphenyl)-N-propylpiperidine-4-carboxamide?
The canonical SMILES for 1-(2-chloro-4-morpholin-4-ylsulfonylphenyl)-N-propylpiperidine-4-carboxamide is CCCNC(=O)C1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2Cl)CC1.
What is the InChIKey of 1-(2-chloro-4-morpholin-4-ylsulfonylphenyl)-N-propylpiperidine-4-carboxamide?
The InChIKey is MGIAWSBQMSLHQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28ClN3O4S/c1-2-7-21-19(24)15-5-8-22(9-6-15)18-4-3-16(14-17(18)20)28(25,26)23-10-12-27-13-11-23/h3-4,14-15H,2,5-13H2,1H3,(H,21,24).
What are the key properties of 1-(2-chloro-4-morpholin-4-ylsulfonylphenyl)-N-propylpiperidine-4-carboxamide?
1-(2-chloro-4-morpholin-4-ylsulfonylphenyl)-N-propylpiperidine-4-carboxamide has a molecular weight of 429.97 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-morpholin-4-ylsulfonylphenyl)-N-propylpiperidine-4-carboxamide is sourced from PubChem (CID 3227693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).