(5S)-N-(3-methylphenyl)-9-(oxan-4-ylmethyl)-2,9-diazaspiro[4.5]decane-2-carboxamide

C22H33N3O2 — CID 97482486

IUPAC(5S)-N-(3-methylphenyl)-9-(oxan-4-ylmethyl)-2,9-diazaspiro[4.5]decane-2-carboxamide
SMILESCc1cccc(NC(=O)N2CC[C@]3(CCCN(CC4CCOCC4)C3)C2)c1
InChIInChI=1S/C22H33N3O2/c1-18-4-2-5-20(14-18)23-21(26)25-11-9-22(17-25)8-3-10-24(16-22)15-19-6-12-27-13-7-19/h2,4-5,14,19H,3,6-13,15-17H2,1H3,(H,23,26)/t22-/m0/s1
InChIKeyJGFCKIPIEQYGFH-QFIPXVFZSA-N
MW371.53 g/mol
LogP3.74
Rot. Bonds3

About (5S)-N-(3-methylphenyl)-9-(oxan-4-ylmethyl)-2,9-diazaspiro[4.5]decane-2-carboxamide

(5S)-N-(3-methylphenyl)-9-(oxan-4-ylmethyl)-2,9-diazaspiro[4.5]decane-2-carboxamide (PubChem CID 97482486) has the molecular formula C22H33N3O2 and a molecular weight of 371.53 g/mol. Its IUPAC name is (5S)-N-(3-methylphenyl)-9-(oxan-4-ylmethyl)-2,9-diazaspiro[4.5]decane-2-carboxamide.

Molecular Properties

Compound Name(5S)-N-(3-methylphenyl)-9-(oxan-4-ylmethyl)-2,9-diazaspiro[4.5]decane-2-carboxamide
PubChem CID97482486
Molecular FormulaC22H33N3O2
Molecular Weight371.53 g/mol
Exact Mass371.26
IUPAC Name(5S)-N-(3-methylphenyl)-9-(oxan-4-ylmethyl)-2,9-diazaspiro[4.5]decane-2-carboxamide
SMILESCc1cccc(NC(=O)N2CC[C@]3(CCCN(CC4CCOCC4)C3)C2)c1
InChIInChI=1S/C22H33N3O2/c1-18-4-2-5-20(14-18)23-21(26)25-11-9-22(17-25)8-3-10-24(16-22)15-19-6-12-27-13-7-19/h2,4-5,14,19H,3,6-13,15-17H2,1H3,(H,23,26)/t22-/m0/s1
InChIKeyJGFCKIPIEQYGFH-QFIPXVFZSA-N
XLogP3.74
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

9-(oxan-4-ylmethyl)-N-phenyl-2,9-diazaspiro[4.5]decane-2-carboxamide
CID 131638814
1-[(5R)-9-[[(3R)-oxolan-3-yl]methyl]-2,9-diazaspiro[4.5]decan-2-yl]ethanone
CID 98783278
2-(oxan-4-ylmethyl)-2,9-diazaspiro[5.5]undecane-9-carboxylic acid
CID 174215008
2-(cyclopropylmethyl)-N-(3-methylphenyl)-3-oxo-2,7-diazaspiro[3.5]nonane-7-carboxamide
CID 97472874
1-[9-(oxan-4-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-2-thiophen-3-ylethanone
CID 118739157
3-hydroxy-3-methyl-N-(3-methylphenyl)pyrrolidine-1-carboxamide
CID 103727847
1-[1'-(oxan-4-ylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,3'-piperidine]-2-yl]ethanone
CID 134788250
N-[3-[methyl(propan-2-yl)amino]phenyl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
CID 71992230
cyclohexyl-[9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone
CID 45238198
(5R)-9-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-(3-fluorophenyl)-2,9-diazaspiro[4.5]decane-2-carboxamide
CID 3235333
1-[(3-methylphenyl)carbamoyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106982829
1-N,4-N-bis(3-methylphenyl)piperidine-1,4-dicarboxamide
CID 3222755

Frequently Asked Questions

What is the IUPAC name of (5S)-N-(3-methylphenyl)-9-(oxan-4-ylmethyl)-2,9-diazaspiro[4.5]decane-2-carboxamide?
The IUPAC name of (5S)-N-(3-methylphenyl)-9-(oxan-4-ylmethyl)-2,9-diazaspiro[4.5]decane-2-carboxamide (CID 97482486) is (5S)-N-(3-methylphenyl)-9-(oxan-4-ylmethyl)-2,9-diazaspiro[4.5]decane-2-carboxamide.
What is the SMILES notation for (5S)-N-(3-methylphenyl)-9-(oxan-4-ylmethyl)-2,9-diazaspiro[4.5]decane-2-carboxamide?
The canonical SMILES for (5S)-N-(3-methylphenyl)-9-(oxan-4-ylmethyl)-2,9-diazaspiro[4.5]decane-2-carboxamide is Cc1cccc(NC(=O)N2CC[C@]3(CCCN(CC4CCOCC4)C3)C2)c1.
What is the InChIKey of (5S)-N-(3-methylphenyl)-9-(oxan-4-ylmethyl)-2,9-diazaspiro[4.5]decane-2-carboxamide?
The InChIKey is JGFCKIPIEQYGFH-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H33N3O2/c1-18-4-2-5-20(14-18)23-21(26)25-11-9-22(17-25)8-3-10-24(16-22)15-19-6-12-27-13-7-19/h2,4-5,14,19H,3,6-13,15-17H2,1H3,(H,23,26)/t22-/m0/s1.
What are the key properties of (5S)-N-(3-methylphenyl)-9-(oxan-4-ylmethyl)-2,9-diazaspiro[4.5]decane-2-carboxamide?
(5S)-N-(3-methylphenyl)-9-(oxan-4-ylmethyl)-2,9-diazaspiro[4.5]decane-2-carboxamide has a molecular weight of 371.53 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-N-(3-methylphenyl)-9-(oxan-4-ylmethyl)-2,9-diazaspiro[4.5]decane-2-carboxamide is sourced from PubChem (CID 97482486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).