9-cyclopropyl-1-[(3-methylphenyl)methyl]-1,9-diazaspiro[4.5]decan-10-one

C19H26N2O — CID 162626884

IUPAC9-cyclopropyl-1-[(3-methylphenyl)methyl]-1,9-diazaspiro[4.5]decan-10-one
SMILESCc1cccc(CN2CCCC23CCCN(C2CC2)C3=O)c1
InChIInChI=1S/C19H26N2O/c1-15-5-2-6-16(13-15)14-20-11-3-9-19(20)10-4-12-21(18(19)22)17-7-8-17/h2,5-6,13,17H,3-4,7-12,14H2,1H3
InChIKeyJBMQXVPZKZXOJE-UHFFFAOYSA-N
MW298.43 g/mol
LogP3.11
Rot. Bonds3

About 9-cyclopropyl-1-[(3-methylphenyl)methyl]-1,9-diazaspiro[4.5]decan-10-one

9-cyclopropyl-1-[(3-methylphenyl)methyl]-1,9-diazaspiro[4.5]decan-10-one (PubChem CID 162626884) has the molecular formula C19H26N2O and a molecular weight of 298.43 g/mol. Its IUPAC name is 9-cyclopropyl-1-[(3-methylphenyl)methyl]-1,9-diazaspiro[4.5]decan-10-one.

Molecular Properties

Compound Name9-cyclopropyl-1-[(3-methylphenyl)methyl]-1,9-diazaspiro[4.5]decan-10-one
PubChem CID162626884
Molecular FormulaC19H26N2O
Molecular Weight298.43 g/mol
Exact Mass298.20
IUPAC Name9-cyclopropyl-1-[(3-methylphenyl)methyl]-1,9-diazaspiro[4.5]decan-10-one
SMILESCc1cccc(CN2CCCC23CCCN(C2CC2)C3=O)c1
InChIInChI=1S/C19H26N2O/c1-15-5-2-6-16(13-15)14-20-11-3-9-19(20)10-4-12-21(18(19)22)17-7-8-17/h2,5-6,13,17H,3-4,7-12,14H2,1H3
InChIKeyJBMQXVPZKZXOJE-UHFFFAOYSA-N
XLogP3.11
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-cyclopropyl-1-[(3-hydroxyphenyl)methyl]-1,9-diazaspiro[4.5]decan-10-one
CID 162636091
9-cyclopropyl-1-(9H-fluoren-2-ylmethyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162626693
9-cyclopropyl-1-[(3-hydroxy-4-methoxyphenyl)methyl]-1,9-diazaspiro[4.5]decan-10-one
CID 162628045
9-cyclopropyl-1-[(5-methyl-2-pyridinyl)methyl]-1,9-diazaspiro[4.5]decan-10-one
CID 162628253
1-[(2-ethylphenyl)methyl]-9-(4-hydroxycyclohexyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162631324
9-cyclopropyl-1-(3-methylphenyl)sulfonyl-1,9-diazaspiro[4.5]decan-10-one
CID 163314849
9-cyclopropyl-1-[(2,3-dimethylimidazol-4-yl)methyl]-1,9-diazaspiro[4.5]decan-10-one
CID 162630680
1-[(2-amino-3-pyridinyl)methyl]-9-cyclopropyl-1,9-diazaspiro[4.5]decan-10-one
CID 162630144
1-[(3-hydroxyphenyl)methyl]-9-(4-methylphenyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162627322
1-[(4-bromophenyl)methyl]-7-cyclohexyl-1,7-diazaspiro[4.4]nonan-6-one
CID 67356061
9-cyclopropyl-1-[(2-methoxynaphthalen-1-yl)methyl]-1,9-diazaspiro[4.5]decan-10-one
CID 163310473
9-(4-hydroxycyclohexyl)-1-(1H-indol-7-ylmethyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162632433

Frequently Asked Questions

What is the IUPAC name of 9-cyclopropyl-1-[(3-methylphenyl)methyl]-1,9-diazaspiro[4.5]decan-10-one?
The IUPAC name of 9-cyclopropyl-1-[(3-methylphenyl)methyl]-1,9-diazaspiro[4.5]decan-10-one (CID 162626884) is 9-cyclopropyl-1-[(3-methylphenyl)methyl]-1,9-diazaspiro[4.5]decan-10-one.
What is the SMILES notation for 9-cyclopropyl-1-[(3-methylphenyl)methyl]-1,9-diazaspiro[4.5]decan-10-one?
The canonical SMILES for 9-cyclopropyl-1-[(3-methylphenyl)methyl]-1,9-diazaspiro[4.5]decan-10-one is Cc1cccc(CN2CCCC23CCCN(C2CC2)C3=O)c1.
What is the InChIKey of 9-cyclopropyl-1-[(3-methylphenyl)methyl]-1,9-diazaspiro[4.5]decan-10-one?
The InChIKey is JBMQXVPZKZXOJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O/c1-15-5-2-6-16(13-15)14-20-11-3-9-19(20)10-4-12-21(18(19)22)17-7-8-17/h2,5-6,13,17H,3-4,7-12,14H2,1H3.
What are the key properties of 9-cyclopropyl-1-[(3-methylphenyl)methyl]-1,9-diazaspiro[4.5]decan-10-one?
9-cyclopropyl-1-[(3-methylphenyl)methyl]-1,9-diazaspiro[4.5]decan-10-one has a molecular weight of 298.43 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclopropyl-1-[(3-methylphenyl)methyl]-1,9-diazaspiro[4.5]decan-10-one is sourced from PubChem (CID 162626884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).