(3S)-N-[3-(4-benzylpiperidin-1-yl)propyl]-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide

C25H40N4O4S — CID 92686982

IUPAC(3S)-N-[3-(4-benzylpiperidin-1-yl)propyl]-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide
SMILESO=C(NCCCN1CCC(Cc2ccccc2)CC1)[C@H]1CCCN(S(=O)(=O)N2CCOCC2)C1
InChIInChI=1S/C25H40N4O4S/c30-25(24-8-4-13-29(21-24)34(31,32)28-16-18-33-19-17-28)26-11-5-12-27-14-9-23(10-15-27)20-22-6-2-1-3-7-22/h1-3,6-7,23-24H,4-5,8-21H2,(H,26,30)/t24-/m0/s1
InChIKeyCFPHGLMCBDMVLX-DEOSSOPVSA-N
MW492.69 g/mol
LogP1.74
Rot. Bonds9

About (3S)-N-[3-(4-benzylpiperidin-1-yl)propyl]-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide

(3S)-N-[3-(4-benzylpiperidin-1-yl)propyl]-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide (PubChem CID 92686982) has the molecular formula C25H40N4O4S and a molecular weight of 492.69 g/mol. Its IUPAC name is (3S)-N-[3-(4-benzylpiperidin-1-yl)propyl]-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[3-(4-benzylpiperidin-1-yl)propyl]-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide
PubChem CID92686982
Molecular FormulaC25H40N4O4S
Molecular Weight492.69 g/mol
Exact Mass492.28
IUPAC Name(3S)-N-[3-(4-benzylpiperidin-1-yl)propyl]-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide
SMILESO=C(NCCCN1CCC(Cc2ccccc2)CC1)[C@H]1CCCN(S(=O)(=O)N2CCOCC2)C1
InChIInChI=1S/C25H40N4O4S/c30-25(24-8-4-13-29(21-24)34(31,32)28-16-18-33-19-17-28)26-11-5-12-27-14-9-23(10-15-27)20-22-6-2-1-3-7-22/h1-3,6-7,23-24H,4-5,8-21H2,(H,26,30)/t24-/m0/s1
InChIKeyCFPHGLMCBDMVLX-DEOSSOPVSA-N
XLogP1.74
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.69
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3S)-N-(3-morpholin-4-ylpropyl)-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide
CID 92677076
(3R)-N-[(2-chlorophenyl)methyl]-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide
CID 92686919
(3R)-1-[(3-chlorophenyl)methylsulfonyl]-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide
CID 92641834
N-[3-(azepan-1-yl)propyl]-1-(benzenesulfonyl)piperidine-3-carboxamide
CID 133167771
(3R)-1-ethylsulfonyl-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide
CID 92696521
(3R)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-N-(2-phenylethyl)piperidine-3-carboxamide
CID 92687039
N-(2-aminoethyl)-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide
CID 63253133
N-[(3-bromophenyl)methyl]-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide
CID 22552799
N-[2-(1H-indol-3-yl)ethyl]-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide
CID 22552766
(3R)-1-morpholin-4-ylsulfonyl-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide
CID 92686965
(3S)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-N-[3-(4-methylpiperazin-1-yl)propyl]piperidine-3-carboxamide
CID 92687076
(3S)-N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-1-pyrrolidin-1-ylsulfonylpiperidine-3-carboxamide
CID 98477781

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[3-(4-benzylpiperidin-1-yl)propyl]-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide?
The IUPAC name of (3S)-N-[3-(4-benzylpiperidin-1-yl)propyl]-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide (CID 92686982) is (3S)-N-[3-(4-benzylpiperidin-1-yl)propyl]-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[3-(4-benzylpiperidin-1-yl)propyl]-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-N-[3-(4-benzylpiperidin-1-yl)propyl]-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide is O=C(NCCCN1CCC(Cc2ccccc2)CC1)[C@H]1CCCN(S(=O)(=O)N2CCOCC2)C1.
What is the InChIKey of (3S)-N-[3-(4-benzylpiperidin-1-yl)propyl]-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide?
The InChIKey is CFPHGLMCBDMVLX-DEOSSOPVSA-N. The full InChI is InChI=1S/C25H40N4O4S/c30-25(24-8-4-13-29(21-24)34(31,32)28-16-18-33-19-17-28)26-11-5-12-27-14-9-23(10-15-27)20-22-6-2-1-3-7-22/h1-3,6-7,23-24H,4-5,8-21H2,(H,26,30)/t24-/m0/s1.
What are the key properties of (3S)-N-[3-(4-benzylpiperidin-1-yl)propyl]-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide?
(3S)-N-[3-(4-benzylpiperidin-1-yl)propyl]-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide has a molecular weight of 492.69 g/mol, XLogP of 1.74, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[3-(4-benzylpiperidin-1-yl)propyl]-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 92686982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).