(3S)-N-benzhydryl-2,8-diazaspiro[4.5]decane-3-carboxamide

C22H27N3O — CID 95724507

IUPAC(3S)-N-benzhydryl-2,8-diazaspiro[4.5]decane-3-carboxamide
SMILESO=C(NC(c1ccccc1)c1ccccc1)[C@@H]1CC2(CCNCC2)CN1
InChIInChI=1S/C22H27N3O/c26-21(19-15-22(16-24-19)11-13-23-14-12-22)25-20(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,19-20,23-24H,11-16H2,(H,25,26)/t19-/m0/s1
InChIKeyPDPBDMCICRJZTG-IBGZPJMESA-N
MW349.48 g/mol
LogP2.62
Rot. Bonds4

About (3S)-N-benzhydryl-2,8-diazaspiro[4.5]decane-3-carboxamide

(3S)-N-benzhydryl-2,8-diazaspiro[4.5]decane-3-carboxamide (PubChem CID 95724507) has the molecular formula C22H27N3O and a molecular weight of 349.48 g/mol. Its IUPAC name is (3S)-N-benzhydryl-2,8-diazaspiro[4.5]decane-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-benzhydryl-2,8-diazaspiro[4.5]decane-3-carboxamide
PubChem CID95724507
Molecular FormulaC22H27N3O
Molecular Weight349.48 g/mol
Exact Mass349.22
IUPAC Name(3S)-N-benzhydryl-2,8-diazaspiro[4.5]decane-3-carboxamide
SMILESO=C(NC(c1ccccc1)c1ccccc1)[C@@H]1CC2(CCNCC2)CN1
InChIInChI=1S/C22H27N3O/c26-21(19-15-22(16-24-19)11-13-23-14-12-22)25-20(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,19-20,23-24H,11-16H2,(H,25,26)/t19-/m0/s1
InChIKeyPDPBDMCICRJZTG-IBGZPJMESA-N
XLogP2.62
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-benzhydryl-2,8-diazaspiro[4.5]decane-3-carboxamide?
The IUPAC name of (3S)-N-benzhydryl-2,8-diazaspiro[4.5]decane-3-carboxamide (CID 95724507) is (3S)-N-benzhydryl-2,8-diazaspiro[4.5]decane-3-carboxamide.
What is the SMILES notation for (3S)-N-benzhydryl-2,8-diazaspiro[4.5]decane-3-carboxamide?
The canonical SMILES for (3S)-N-benzhydryl-2,8-diazaspiro[4.5]decane-3-carboxamide is O=C(NC(c1ccccc1)c1ccccc1)[C@@H]1CC2(CCNCC2)CN1.
What is the InChIKey of (3S)-N-benzhydryl-2,8-diazaspiro[4.5]decane-3-carboxamide?
The InChIKey is PDPBDMCICRJZTG-IBGZPJMESA-N. The full InChI is InChI=1S/C22H27N3O/c26-21(19-15-22(16-24-19)11-13-23-14-12-22)25-20(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,19-20,23-24H,11-16H2,(H,25,26)/t19-/m0/s1.
What are the key properties of (3S)-N-benzhydryl-2,8-diazaspiro[4.5]decane-3-carboxamide?
(3S)-N-benzhydryl-2,8-diazaspiro[4.5]decane-3-carboxamide has a molecular weight of 349.48 g/mol, XLogP of 2.62, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-benzhydryl-2,8-diazaspiro[4.5]decane-3-carboxamide is sourced from PubChem (CID 95724507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).