(4R)-N-(3-piperidin-1-ylpropyl)-2-pyridin-3-ylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide

C23H36N4O3S — CID 95105953

IUPAC(4R)-N-(3-piperidin-1-ylpropyl)-2-pyridin-3-ylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide
SMILESO=C(NCCCN1CCCCC1)[C@H]1CN(S(=O)(=O)c2cccnc2)CC12CCCCC2
InChIInChI=1S/C23H36N4O3S/c28-22(25-13-8-16-26-14-5-2-6-15-26)21-18-27(19-23(21)10-3-1-4-11-23)31(29,30)20-9-7-12-24-17-20/h7,9,12,17,21H,1-6,8,10-11,13-16,18-19H2,(H,25,28)/t21-/m1/s1
InChIKeyHPMDXGAAGUPMJB-OAQYLSRUSA-N
MW448.63 g/mol
LogP2.64
Rot. Bonds7

About (4R)-N-(3-piperidin-1-ylpropyl)-2-pyridin-3-ylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide

(4R)-N-(3-piperidin-1-ylpropyl)-2-pyridin-3-ylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide (PubChem CID 95105953) has the molecular formula C23H36N4O3S and a molecular weight of 448.63 g/mol. Its IUPAC name is (4R)-N-(3-piperidin-1-ylpropyl)-2-pyridin-3-ylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide.

Molecular Properties

Compound Name(4R)-N-(3-piperidin-1-ylpropyl)-2-pyridin-3-ylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide
PubChem CID95105953
Molecular FormulaC23H36N4O3S
Molecular Weight448.63 g/mol
Exact Mass448.25
IUPAC Name(4R)-N-(3-piperidin-1-ylpropyl)-2-pyridin-3-ylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide
SMILESO=C(NCCCN1CCCCC1)[C@H]1CN(S(=O)(=O)c2cccnc2)CC12CCCCC2
InChIInChI=1S/C23H36N4O3S/c28-22(25-13-8-16-26-14-5-2-6-15-26)21-18-27(19-23(21)10-3-1-4-11-23)31(29,30)20-9-7-12-24-17-20/h7,9,12,17,21H,1-6,8,10-11,13-16,18-19H2,(H,25,28)/t21-/m1/s1
InChIKeyHPMDXGAAGUPMJB-OAQYLSRUSA-N
XLogP2.64
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.63
LogP ≤ 52.64
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

N-(2-piperidin-1-ylethyl)-2-pyridin-3-ylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide
CID 53183521
2-(benzenesulfonyl)-N-(2-pyridin-3-ylethyl)-2-azaspiro[4.5]decane-4-carboxamide
CID 53183476
2-pyridin-3-ylsulfonyl-N-(thiophen-2-ylmethyl)-2-azaspiro[4.5]decane-4-carboxamide
CID 53183516
(4S)-N-[(2-methoxyphenyl)methyl]-2-pyridin-3-ylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide
CID 95105867
N-[3-(azepan-1-yl)propyl]-1-(benzenesulfonyl)piperidine-3-carboxamide
CID 133167771
(4S)-N-(3-pyrrolidin-1-ylpropyl)-2-(thiophene-2-carbonyl)-2-azaspiro[4.5]decane-4-carboxamide
CID 95107110
N-(2-aminoethyl)-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide
CID 63253265
N-(3,3-diphenylpropyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 30892157
6-(5-fluoro-2-methylphenyl)sulfonyl-N-(pyridin-3-ylmethyl)-6-azaspiro[3.4]octane-8-carboxamide
CID 155881374
N-(pyridin-3-ylmethyl)-6-quinolin-8-ylsulfonyl-6-azaspiro[3.4]octane-8-carboxamide
CID 155880452
N-[2-(4-chlorophenyl)ethyl]-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide
CID 122175043
1-(benzenesulfonyl)-N-(2-piperidin-1-ylethyl)piperidine-4-carboxamide
CID 55723344

Frequently Asked Questions

What is the IUPAC name of (4R)-N-(3-piperidin-1-ylpropyl)-2-pyridin-3-ylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide?
The IUPAC name of (4R)-N-(3-piperidin-1-ylpropyl)-2-pyridin-3-ylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide (CID 95105953) is (4R)-N-(3-piperidin-1-ylpropyl)-2-pyridin-3-ylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide.
What is the SMILES notation for (4R)-N-(3-piperidin-1-ylpropyl)-2-pyridin-3-ylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide?
The canonical SMILES for (4R)-N-(3-piperidin-1-ylpropyl)-2-pyridin-3-ylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide is O=C(NCCCN1CCCCC1)[C@H]1CN(S(=O)(=O)c2cccnc2)CC12CCCCC2.
What is the InChIKey of (4R)-N-(3-piperidin-1-ylpropyl)-2-pyridin-3-ylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide?
The InChIKey is HPMDXGAAGUPMJB-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H36N4O3S/c28-22(25-13-8-16-26-14-5-2-6-15-26)21-18-27(19-23(21)10-3-1-4-11-23)31(29,30)20-9-7-12-24-17-20/h7,9,12,17,21H,1-6,8,10-11,13-16,18-19H2,(H,25,28)/t21-/m1/s1.
What are the key properties of (4R)-N-(3-piperidin-1-ylpropyl)-2-pyridin-3-ylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide?
(4R)-N-(3-piperidin-1-ylpropyl)-2-pyridin-3-ylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide has a molecular weight of 448.63 g/mol, XLogP of 2.64, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-(3-piperidin-1-ylpropyl)-2-pyridin-3-ylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide is sourced from PubChem (CID 95105953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).