(6R)-2-(cyclopropylmethyl)-N-[(4-methoxyphenyl)methyl]-3-oxo-2,8-diazaspiro[5.5]undecane-8-carboxamide

C22H31N3O3 — CID 97204156

IUPAC(6R)-2-(cyclopropylmethyl)-N-[(4-methoxyphenyl)methyl]-3-oxo-2,8-diazaspiro[5.5]undecane-8-carboxamide
SMILESCOc1ccc(CNC(=O)N2CCC[C@]3(CCC(=O)N(CC4CC4)C3)C2)cc1
InChIInChI=1S/C22H31N3O3/c1-28-19-7-5-17(6-8-19)13-23-21(27)24-12-2-10-22(15-24)11-9-20(26)25(16-22)14-18-3-4-18/h5-8,18H,2-4,9-16H2,1H3,(H,23,27)/t22-/m0/s1
InChIKeyXUYPJPRCKQUJMW-QFIPXVFZSA-N
MW385.51 g/mol
LogP3.02
Rot. Bonds5

About (6R)-2-(cyclopropylmethyl)-N-[(4-methoxyphenyl)methyl]-3-oxo-2,8-diazaspiro[5.5]undecane-8-carboxamide

(6R)-2-(cyclopropylmethyl)-N-[(4-methoxyphenyl)methyl]-3-oxo-2,8-diazaspiro[5.5]undecane-8-carboxamide (PubChem CID 97204156) has the molecular formula C22H31N3O3 and a molecular weight of 385.51 g/mol. Its IUPAC name is (6R)-2-(cyclopropylmethyl)-N-[(4-methoxyphenyl)methyl]-3-oxo-2,8-diazaspiro[5.5]undecane-8-carboxamide.

Molecular Properties

Compound Name(6R)-2-(cyclopropylmethyl)-N-[(4-methoxyphenyl)methyl]-3-oxo-2,8-diazaspiro[5.5]undecane-8-carboxamide
PubChem CID97204156
Molecular FormulaC22H31N3O3
Molecular Weight385.51 g/mol
Exact Mass385.24
IUPAC Name(6R)-2-(cyclopropylmethyl)-N-[(4-methoxyphenyl)methyl]-3-oxo-2,8-diazaspiro[5.5]undecane-8-carboxamide
SMILESCOc1ccc(CNC(=O)N2CCC[C@]3(CCC(=O)N(CC4CC4)C3)C2)cc1
InChIInChI=1S/C22H31N3O3/c1-28-19-7-5-17(6-8-19)13-23-21(27)24-12-2-10-22(15-24)11-9-20(26)25(16-22)14-18-3-4-18/h5-8,18H,2-4,9-16H2,1H3,(H,23,27)/t22-/m0/s1
InChIKeyXUYPJPRCKQUJMW-QFIPXVFZSA-N
XLogP3.02
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (6R)-2-(cyclopropylmethyl)-N-[(4-methoxyphenyl)methyl]-3-oxo-2,8-diazaspiro[5.5]undecane-8-carboxamide with MolForge

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Related Compounds

(6R)-2-(cyclopropylmethyl)-N-[(4-methylphenyl)methyl]-3-oxo-2,8-diazaspiro[5.5]undecane-8-carboxamide
CID 97132229
(6R)-2-(cyclopropylmethyl)-8-[2-[4-(dimethylamino)phenyl]acetyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 97156784
2-(cyclopropylmethyl)-8-(2-hydroxyacetyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 72916173
2-(cyclopropylmethyl)-8-[2-(2-hydroxyphenyl)acetyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70777892
(5S)-7-(2-methoxyethyl)-N-[(4-methoxyphenyl)methyl]-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide
CID 97205006
N-[[4-(2-methoxyethoxy)phenyl]methyl]-6-azaspiro[3.4]octane-6-carboxamide
CID 71853262
3-[1-(cyclopropylmethyl)imidazol-2-yl]-N-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide
CID 70756726
2-(cyclopropylmethyl)-9-[(3,5-dimethoxyphenyl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70779908
(3S)-3-(cyclopropylmethyl)-N-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 97133998
N-benzyl-1-(cyclopropylmethyl)-2-oxo-1,9-diazaspiro[4.6]undecane-9-carboxamide
CID 131661655
2-(cyclopropylmethyl)-8-(3-fluoroimidazo[1,2-a]pyridine-2-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 72936923
(2R)-N-[(4-methoxyphenyl)methyl]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carboxamide
CID 134804470

Frequently Asked Questions

What is the IUPAC name of (6R)-2-(cyclopropylmethyl)-N-[(4-methoxyphenyl)methyl]-3-oxo-2,8-diazaspiro[5.5]undecane-8-carboxamide?
The IUPAC name of (6R)-2-(cyclopropylmethyl)-N-[(4-methoxyphenyl)methyl]-3-oxo-2,8-diazaspiro[5.5]undecane-8-carboxamide (CID 97204156) is (6R)-2-(cyclopropylmethyl)-N-[(4-methoxyphenyl)methyl]-3-oxo-2,8-diazaspiro[5.5]undecane-8-carboxamide.
What is the SMILES notation for (6R)-2-(cyclopropylmethyl)-N-[(4-methoxyphenyl)methyl]-3-oxo-2,8-diazaspiro[5.5]undecane-8-carboxamide?
The canonical SMILES for (6R)-2-(cyclopropylmethyl)-N-[(4-methoxyphenyl)methyl]-3-oxo-2,8-diazaspiro[5.5]undecane-8-carboxamide is COc1ccc(CNC(=O)N2CCC[C@]3(CCC(=O)N(CC4CC4)C3)C2)cc1.
What is the InChIKey of (6R)-2-(cyclopropylmethyl)-N-[(4-methoxyphenyl)methyl]-3-oxo-2,8-diazaspiro[5.5]undecane-8-carboxamide?
The InChIKey is XUYPJPRCKQUJMW-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H31N3O3/c1-28-19-7-5-17(6-8-19)13-23-21(27)24-12-2-10-22(15-24)11-9-20(26)25(16-22)14-18-3-4-18/h5-8,18H,2-4,9-16H2,1H3,(H,23,27)/t22-/m0/s1.
What are the key properties of (6R)-2-(cyclopropylmethyl)-N-[(4-methoxyphenyl)methyl]-3-oxo-2,8-diazaspiro[5.5]undecane-8-carboxamide?
(6R)-2-(cyclopropylmethyl)-N-[(4-methoxyphenyl)methyl]-3-oxo-2,8-diazaspiro[5.5]undecane-8-carboxamide has a molecular weight of 385.51 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-2-(cyclopropylmethyl)-N-[(4-methoxyphenyl)methyl]-3-oxo-2,8-diazaspiro[5.5]undecane-8-carboxamide is sourced from PubChem (CID 97204156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).