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

C22H31N3O2 — CID 97132229

IUPAC(6R)-2-(cyclopropylmethyl)-N-[(4-methylphenyl)methyl]-3-oxo-2,8-diazaspiro[5.5]undecane-8-carboxamide
SMILESCc1ccc(CNC(=O)N2CCC[C@]3(CCC(=O)N(CC4CC4)C3)C2)cc1
InChIInChI=1S/C22H31N3O2/c1-17-3-5-18(6-4-17)13-23-21(27)24-12-2-10-22(15-24)11-9-20(26)25(16-22)14-19-7-8-19/h3-6,19H,2,7-16H2,1H3,(H,23,27)/t22-/m0/s1
InChIKeyOFBVOZNBGYJFJI-QFIPXVFZSA-N
MW369.51 g/mol
LogP3.32
Rot. Bonds4

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

(6R)-2-(cyclopropylmethyl)-N-[(4-methylphenyl)methyl]-3-oxo-2,8-diazaspiro[5.5]undecane-8-carboxamide (PubChem CID 97132229) has the molecular formula C22H31N3O2 and a molecular weight of 369.51 g/mol. Its IUPAC name is (6R)-2-(cyclopropylmethyl)-N-[(4-methylphenyl)methyl]-3-oxo-2,8-diazaspiro[5.5]undecane-8-carboxamide.

Molecular Properties

Compound Name(6R)-2-(cyclopropylmethyl)-N-[(4-methylphenyl)methyl]-3-oxo-2,8-diazaspiro[5.5]undecane-8-carboxamide
PubChem CID97132229
Molecular FormulaC22H31N3O2
Molecular Weight369.51 g/mol
Exact Mass369.24
IUPAC Name(6R)-2-(cyclopropylmethyl)-N-[(4-methylphenyl)methyl]-3-oxo-2,8-diazaspiro[5.5]undecane-8-carboxamide
SMILESCc1ccc(CNC(=O)N2CCC[C@]3(CCC(=O)N(CC4CC4)C3)C2)cc1
InChIInChI=1S/C22H31N3O2/c1-17-3-5-18(6-4-17)13-23-21(27)24-12-2-10-22(15-24)11-9-20(26)25(16-22)14-19-7-8-19/h3-6,19H,2,7-16H2,1H3,(H,23,27)/t22-/m0/s1
InChIKeyOFBVOZNBGYJFJI-QFIPXVFZSA-N
XLogP3.32
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

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Related Compounds

(6R)-2-(cyclopropylmethyl)-N-[(4-methoxyphenyl)methyl]-3-oxo-2,8-diazaspiro[5.5]undecane-8-carboxamide
CID 97204156
(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
2-(cyclopropylmethyl)-8-[3-(2-methyl-6-oxo-1-pyridinyl)propanoyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 72938926
(5R)-2-[(3,4-dichlorophenyl)methyl]-N-[(4-methylphenyl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxamide
CID 73291790
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
N-(4-methylphenyl)-3-oxo-2-[[(2R)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecane-9-carboxamide
CID 97119962
(3S)-1-N-[(4-fluorophenyl)methyl]-3-methyl-3-N-[(4-methylphenyl)methyl]piperidine-1,3-dicarboxamide
CID 95088022
N-cyclohexyl-2-[(6R)-2-(cyclopropylmethyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]acetamide
CID 97128681
9-[2-(4-methylphenyl)acetyl]-2-[[(2R)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97113040

Frequently Asked Questions

What is the IUPAC name of (6R)-2-(cyclopropylmethyl)-N-[(4-methylphenyl)methyl]-3-oxo-2,8-diazaspiro[5.5]undecane-8-carboxamide?
The IUPAC name of (6R)-2-(cyclopropylmethyl)-N-[(4-methylphenyl)methyl]-3-oxo-2,8-diazaspiro[5.5]undecane-8-carboxamide (CID 97132229) is (6R)-2-(cyclopropylmethyl)-N-[(4-methylphenyl)methyl]-3-oxo-2,8-diazaspiro[5.5]undecane-8-carboxamide.
What is the SMILES notation for (6R)-2-(cyclopropylmethyl)-N-[(4-methylphenyl)methyl]-3-oxo-2,8-diazaspiro[5.5]undecane-8-carboxamide?
The canonical SMILES for (6R)-2-(cyclopropylmethyl)-N-[(4-methylphenyl)methyl]-3-oxo-2,8-diazaspiro[5.5]undecane-8-carboxamide is Cc1ccc(CNC(=O)N2CCC[C@]3(CCC(=O)N(CC4CC4)C3)C2)cc1.
What is the InChIKey of (6R)-2-(cyclopropylmethyl)-N-[(4-methylphenyl)methyl]-3-oxo-2,8-diazaspiro[5.5]undecane-8-carboxamide?
The InChIKey is OFBVOZNBGYJFJI-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H31N3O2/c1-17-3-5-18(6-4-17)13-23-21(27)24-12-2-10-22(15-24)11-9-20(26)25(16-22)14-19-7-8-19/h3-6,19H,2,7-16H2,1H3,(H,23,27)/t22-/m0/s1.
What are the key properties of (6R)-2-(cyclopropylmethyl)-N-[(4-methylphenyl)methyl]-3-oxo-2,8-diazaspiro[5.5]undecane-8-carboxamide?
(6R)-2-(cyclopropylmethyl)-N-[(4-methylphenyl)methyl]-3-oxo-2,8-diazaspiro[5.5]undecane-8-carboxamide has a molecular weight of 369.51 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-2-(cyclopropylmethyl)-N-[(4-methylphenyl)methyl]-3-oxo-2,8-diazaspiro[5.5]undecane-8-carboxamide is sourced from PubChem (CID 97132229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).