N-(1-benzylpiperidin-4-yl)-2-methylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide

C23H35N3O3S — CID 71837142

IUPACN-(1-benzylpiperidin-4-yl)-2-methylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide
SMILESCS(=O)(=O)N1CC(C(=O)NC2CCN(Cc3ccccc3)CC2)C2(CCCCC2)C1
InChIInChI=1S/C23H35N3O3S/c1-30(28,29)26-17-21(23(18-26)12-6-3-7-13-23)22(27)24-20-10-14-25(15-11-20)16-19-8-4-2-5-9-19/h2,4-5,8-9,20-21H,3,6-7,10-18H2,1H3,(H,24,27)
InChIKeyBXDPKRGBVBJEKD-UHFFFAOYSA-N
MW433.62 g/mol
LogP2.61
Rot. Bonds5

About N-(1-benzylpiperidin-4-yl)-2-methylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide

N-(1-benzylpiperidin-4-yl)-2-methylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide (PubChem CID 71837142) has the molecular formula C23H35N3O3S and a molecular weight of 433.62 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-2-methylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-2-methylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide
PubChem CID71837142
Molecular FormulaC23H35N3O3S
Molecular Weight433.62 g/mol
Exact Mass433.24
IUPAC NameN-(1-benzylpiperidin-4-yl)-2-methylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide
SMILESCS(=O)(=O)N1CC(C(=O)NC2CCN(Cc3ccccc3)CC2)C2(CCCCC2)C1
InChIInChI=1S/C23H35N3O3S/c1-30(28,29)26-17-21(23(18-26)12-6-3-7-13-23)22(27)24-20-10-14-25(15-11-20)16-19-8-4-2-5-9-19/h2,4-5,8-9,20-21H,3,6-7,10-18H2,1H3,(H,24,27)
InChIKeyBXDPKRGBVBJEKD-UHFFFAOYSA-N
XLogP2.61
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.62
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-(4-((3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl)piperazin-1-yl)-2-cyclohexylethyl)-N-isopropylmethanesulfonamide
CID 10077258
Rac-8-[1-(2-methyl-propenyl)-cyclohexyl]-4-phenyl-2,8-diaza-spiro[4.5]decan-1-one
CID 11245541
2-[4-(Methanesulfonylamino-methyl)-phenyl]-N-methyl-N-((S)-1-phenyl-2-pyrrolidin-1-yl-ethyl)-acetamide
CID 11270347
Rac-8-(1-isopropyl-cyclohexyl)-4-phenyl-2,8-diaza-spiro[4.5]decan-1-one
CID 11337188
4-Phenyl-8-(1-phenyl-cyclohexyl)-2,8-diaza-spiro[4.5]decan-1-one
CID 11372671
4-Phenyl-8-(1-p-tolyl-cyclohexyl)-2,8-diaza-spiro[4.5]decan-1-one
CID 11463791
8-(1-Phenyl-cyclohexyl)-4-propyl-2,8-diaza-spiro[4.5]decan-1-one
CID 44414717
Rac-8-(1-phenyl-cyclohexyl)-4-p-tolyl-2,8-diaza-spiro[4.5]decan-1-one
CID 44414777
Rac-8-[1-(4-fluoro-phenyl)-cyclohexyl]-4-propyl-2,8-diaza-spiro[4.5]decan-1-one
CID 44414876
N-{3-[benzyl(isopropyl)amino]propyl}-1-(propylsulfonyl)piperidine-3-carboxamide
CID 3236804
N-{2-[benzyl(isopropyl)amino]ethyl}-1-(propylsulfonyl)piperidine-3-carboxamide
CID 3241559
N-benzyl-2-[(3R,4R)-1-cyclohexyl-2-oxo-4-pentylpyrrolidin-3-yl]acetamide
CID 24793758

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-2-methylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-2-methylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide (CID 71837142) is N-(1-benzylpiperidin-4-yl)-2-methylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-2-methylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-2-methylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide is CS(=O)(=O)N1CC(C(=O)NC2CCN(Cc3ccccc3)CC2)C2(CCCCC2)C1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-2-methylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide?
The InChIKey is BXDPKRGBVBJEKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3O3S/c1-30(28,29)26-17-21(23(18-26)12-6-3-7-13-23)22(27)24-20-10-14-25(15-11-20)16-19-8-4-2-5-9-19/h2,4-5,8-9,20-21H,3,6-7,10-18H2,1H3,(H,24,27).
What are the key properties of N-(1-benzylpiperidin-4-yl)-2-methylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide?
N-(1-benzylpiperidin-4-yl)-2-methylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide has a molecular weight of 433.62 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-2-methylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide is sourced from PubChem (CID 71837142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).