9-(cyclopropylmethyl)-1-[(4-methylphenyl)methyl]-1,9-diazaspiro[4.6]undecan-2-one

C21H30N2O — CID 131681519

IUPAC9-(cyclopropylmethyl)-1-[(4-methylphenyl)methyl]-1,9-diazaspiro[4.6]undecan-2-one
SMILESCc1ccc(CN2C(=O)CCC23CCCN(CC2CC2)CC3)cc1
InChIInChI=1S/C21H30N2O/c1-17-3-5-19(6-4-17)16-23-20(24)9-11-21(23)10-2-13-22(14-12-21)15-18-7-8-18/h3-6,18H,2,7-16H2,1H3
InChIKeyHPMWYELRSDEMKI-UHFFFAOYSA-N
MW326.48 g/mol
LogP3.75
Rot. Bonds4

About 9-(cyclopropylmethyl)-1-[(4-methylphenyl)methyl]-1,9-diazaspiro[4.6]undecan-2-one

9-(cyclopropylmethyl)-1-[(4-methylphenyl)methyl]-1,9-diazaspiro[4.6]undecan-2-one (PubChem CID 131681519) has the molecular formula C21H30N2O and a molecular weight of 326.48 g/mol. Its IUPAC name is 9-(cyclopropylmethyl)-1-[(4-methylphenyl)methyl]-1,9-diazaspiro[4.6]undecan-2-one.

Molecular Properties

Compound Name9-(cyclopropylmethyl)-1-[(4-methylphenyl)methyl]-1,9-diazaspiro[4.6]undecan-2-one
PubChem CID131681519
Molecular FormulaC21H30N2O
Molecular Weight326.48 g/mol
Exact Mass326.24
IUPAC Name9-(cyclopropylmethyl)-1-[(4-methylphenyl)methyl]-1,9-diazaspiro[4.6]undecan-2-one
SMILESCc1ccc(CN2C(=O)CCC23CCCN(CC2CC2)CC3)cc1
InChIInChI=1S/C21H30N2O/c1-17-3-5-19(6-4-17)16-23-20(24)9-11-21(23)10-2-13-22(14-12-21)15-18-7-8-18/h3-6,18H,2,7-16H2,1H3
InChIKeyHPMWYELRSDEMKI-UHFFFAOYSA-N
XLogP3.75
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.48
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-(cyclopropylmethyl)-1-[(4-fluorophenyl)methyl]-1,9-diazaspiro[4.6]undecan-2-one
CID 131681092
1-benzyl-9-(cyclopropylmethyl)-1,9-diazaspiro[4.6]undecan-2-one
CID 131681152
1-benzyl-8-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97493904
8-(cyclopropylmethyl)-1-(pyridin-4-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97372690
9-[(4-methoxyphenyl)methyl]-1-[(4-methylphenyl)methyl]-1,9-diazaspiro[4.6]undecan-2-one
CID 131681147
9-(cyclopropylmethyl)-1-(pyridin-4-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one;bis(2,2,2-trifluoroacetic acid)
CID 155847690
1,9-bis(cyclohexylmethyl)-1,9-diazaspiro[4.6]undecan-2-one
CID 131681470
1-(cyclohexylmethyl)-9-[(4-methoxyphenyl)methyl]-1,9-diazaspiro[4.6]undecan-2-one
CID 131681505
9-(4,6-dimethoxypyrimidin-2-yl)-1-[(4-methylphenyl)methyl]-1,9-diazaspiro[4.6]undecan-2-one
CID 131681182
(5R)-1-ethyl-9-[(4-fluorophenyl)methyl]-1,9-diazaspiro[4.6]undecan-2-one
CID 97370894
1-[(4-fluorophenyl)methyl]-9-(2-methoxyethyl)-1,9-diazaspiro[4.6]undecan-2-one
CID 131682828
(5S)-1-benzyl-9-methyl-1,9-diazaspiro[4.6]undecan-2-one
CID 97393950

Frequently Asked Questions

What is the IUPAC name of 9-(cyclopropylmethyl)-1-[(4-methylphenyl)methyl]-1,9-diazaspiro[4.6]undecan-2-one?
The IUPAC name of 9-(cyclopropylmethyl)-1-[(4-methylphenyl)methyl]-1,9-diazaspiro[4.6]undecan-2-one (CID 131681519) is 9-(cyclopropylmethyl)-1-[(4-methylphenyl)methyl]-1,9-diazaspiro[4.6]undecan-2-one.
What is the SMILES notation for 9-(cyclopropylmethyl)-1-[(4-methylphenyl)methyl]-1,9-diazaspiro[4.6]undecan-2-one?
The canonical SMILES for 9-(cyclopropylmethyl)-1-[(4-methylphenyl)methyl]-1,9-diazaspiro[4.6]undecan-2-one is Cc1ccc(CN2C(=O)CCC23CCCN(CC2CC2)CC3)cc1.
What is the InChIKey of 9-(cyclopropylmethyl)-1-[(4-methylphenyl)methyl]-1,9-diazaspiro[4.6]undecan-2-one?
The InChIKey is HPMWYELRSDEMKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O/c1-17-3-5-19(6-4-17)16-23-20(24)9-11-21(23)10-2-13-22(14-12-21)15-18-7-8-18/h3-6,18H,2,7-16H2,1H3.
What are the key properties of 9-(cyclopropylmethyl)-1-[(4-methylphenyl)methyl]-1,9-diazaspiro[4.6]undecan-2-one?
9-(cyclopropylmethyl)-1-[(4-methylphenyl)methyl]-1,9-diazaspiro[4.6]undecan-2-one has a molecular weight of 326.48 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(cyclopropylmethyl)-1-[(4-methylphenyl)methyl]-1,9-diazaspiro[4.6]undecan-2-one is sourced from PubChem (CID 131681519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).