(3R)-N-[(2-chlorophenyl)methyl]-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide

C17H24ClN3O4S — CID 92686919

IUPAC(3R)-N-[(2-chlorophenyl)methyl]-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide
SMILESO=C(NCc1ccccc1Cl)[C@@H]1CCCN(S(=O)(=O)N2CCOCC2)C1
InChIInChI=1S/C17H24ClN3O4S/c18-16-6-2-1-4-14(16)12-19-17(22)15-5-3-7-21(13-15)26(23,24)20-8-10-25-11-9-20/h1-2,4,6,15H,3,5,7-13H2,(H,19,22)/t15-/m1/s1
InChIKeyBXCQJWOVZITFIV-OAHLLOKOSA-N
MW401.92 g/mol
LogP1.25
Rot. Bonds5

About (3R)-N-[(2-chlorophenyl)methyl]-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide

(3R)-N-[(2-chlorophenyl)methyl]-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide (PubChem CID 92686919) has the molecular formula C17H24ClN3O4S and a molecular weight of 401.92 g/mol. Its IUPAC name is (3R)-N-[(2-chlorophenyl)methyl]-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(2-chlorophenyl)methyl]-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide
PubChem CID92686919
Molecular FormulaC17H24ClN3O4S
Molecular Weight401.92 g/mol
Exact Mass401.12
IUPAC Name(3R)-N-[(2-chlorophenyl)methyl]-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide
SMILESO=C(NCc1ccccc1Cl)[C@@H]1CCCN(S(=O)(=O)N2CCOCC2)C1
InChIInChI=1S/C17H24ClN3O4S/c18-16-6-2-1-4-14(16)12-19-17(22)15-5-3-7-21(13-15)26(23,24)20-8-10-25-11-9-20/h1-2,4,6,15H,3,5,7-13H2,(H,19,22)/t15-/m1/s1
InChIKeyBXCQJWOVZITFIV-OAHLLOKOSA-N
XLogP1.25
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.92
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-[(2-chlorophenyl)methyl]-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)piperidine-3-carboxamide
CID 92687016
N-[(2-chlorophenyl)methyl]-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide
CID 3448161
(3R)-1-(4-chlorophenyl)sulfonyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
CID 32888239
N-[(2-chlorophenyl)methyl]-1-propylsulfonylpiperidine-3-carboxamide
CID 4115045
N-[(3-bromophenyl)methyl]-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide
CID 22552799
(3S)-1-(3-chloro-4-methylphenyl)sulfonyl-N-[(2-chlorophenyl)methyl]piperidine-3-carboxamide
CID 1456805
N-[(2-chlorophenyl)methyl]-1-(2-methoxyethylsulfonyl)piperidine-3-carboxamide
CID 110335849
(3S)-N-[3-(4-benzylpiperidin-1-yl)propyl]-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide
CID 92686982
(3R)-1-[(2-chlorophenyl)methyl]-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
CID 93489973
N-(2-aminoethyl)-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide
CID 63253133
N-[2-(1H-indol-3-yl)ethyl]-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide
CID 22552766
N-[(2-chlorophenyl)methyl]cyclobutanecarboxamide
CID 17173308

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(2-chlorophenyl)methyl]-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide?
The IUPAC name of (3R)-N-[(2-chlorophenyl)methyl]-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide (CID 92686919) is (3R)-N-[(2-chlorophenyl)methyl]-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[(2-chlorophenyl)methyl]-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[(2-chlorophenyl)methyl]-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide is O=C(NCc1ccccc1Cl)[C@@H]1CCCN(S(=O)(=O)N2CCOCC2)C1.
What is the InChIKey of (3R)-N-[(2-chlorophenyl)methyl]-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide?
The InChIKey is BXCQJWOVZITFIV-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H24ClN3O4S/c18-16-6-2-1-4-14(16)12-19-17(22)15-5-3-7-21(13-15)26(23,24)20-8-10-25-11-9-20/h1-2,4,6,15H,3,5,7-13H2,(H,19,22)/t15-/m1/s1.
What are the key properties of (3R)-N-[(2-chlorophenyl)methyl]-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide?
(3R)-N-[(2-chlorophenyl)methyl]-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide has a molecular weight of 401.92 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(2-chlorophenyl)methyl]-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 92686919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).