9-cyclopropyl-1-[(3-hydroxy-4-methoxyphenyl)methyl]-1,9-diazaspiro[4.5]decan-10-one

C19H26N2O3 — CID 162628045

IUPAC9-cyclopropyl-1-[(3-hydroxy-4-methoxyphenyl)methyl]-1,9-diazaspiro[4.5]decan-10-one
SMILESCOc1ccc(CN2CCCC23CCCN(C2CC2)C3=O)cc1O
InChIInChI=1S/C19H26N2O3/c1-24-17-7-4-14(12-16(17)22)13-20-10-2-8-19(20)9-3-11-21(18(19)23)15-5-6-15/h4,7,12,15,22H,2-3,5-6,8-11,13H2,1H3
InChIKeyBMRUCMXJLGTJKQ-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.52
Rot. Bonds4

About 9-cyclopropyl-1-[(3-hydroxy-4-methoxyphenyl)methyl]-1,9-diazaspiro[4.5]decan-10-one

9-cyclopropyl-1-[(3-hydroxy-4-methoxyphenyl)methyl]-1,9-diazaspiro[4.5]decan-10-one (PubChem CID 162628045) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is 9-cyclopropyl-1-[(3-hydroxy-4-methoxyphenyl)methyl]-1,9-diazaspiro[4.5]decan-10-one.

Molecular Properties

Compound Name9-cyclopropyl-1-[(3-hydroxy-4-methoxyphenyl)methyl]-1,9-diazaspiro[4.5]decan-10-one
PubChem CID162628045
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name9-cyclopropyl-1-[(3-hydroxy-4-methoxyphenyl)methyl]-1,9-diazaspiro[4.5]decan-10-one
SMILESCOc1ccc(CN2CCCC23CCCN(C2CC2)C3=O)cc1O
InChIInChI=1S/C19H26N2O3/c1-24-17-7-4-14(12-16(17)22)13-20-10-2-8-19(20)9-3-11-21(18(19)23)15-5-6-15/h4,7,12,15,22H,2-3,5-6,8-11,13H2,1H3
InChIKeyBMRUCMXJLGTJKQ-UHFFFAOYSA-N
XLogP2.52
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-cyclohexyl-2-[(3-hydroxy-4-methoxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72941178
9-cyclopropyl-1-[(3-methylphenyl)methyl]-1,9-diazaspiro[4.5]decan-10-one
CID 162626884
9-cyclopropyl-1-[(2-methoxynaphthalen-1-yl)methyl]-1,9-diazaspiro[4.5]decan-10-one
CID 163310473
9-cyclopropyl-1-(9H-fluoren-2-ylmethyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162626693
5-[(4,4-dimethylazepan-1-yl)methyl]-2-methoxyphenol
CID 82981011
1-[(2-ethylphenyl)methyl]-9-(4-hydroxycyclohexyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162631324
1-[(4-bromophenyl)methyl]-7-cyclohexyl-1,7-diazaspiro[4.4]nonan-6-one
CID 67356061
9-cyclopropyl-1-[(5-methyl-2-pyridinyl)methyl]-1,9-diazaspiro[4.5]decan-10-one
CID 162628253
2-[1-[(3-hydroxy-4-methoxyphenyl)methyl]pyrrolidin-2-yl]acetic acid
CID 65067754
5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-2-methoxyphenol
CID 82982928
2-methoxy-5-[(2-methylazepan-1-yl)methyl]phenol
CID 82980366
(1S,5S,7S)-3-cyclopentyl-7-(3-hydroxy-4-methoxyphenyl)-3,8-diazatricyclo[6.3.0.01,5]undecan-2-one
CID 42286406

Frequently Asked Questions

What is the IUPAC name of 9-cyclopropyl-1-[(3-hydroxy-4-methoxyphenyl)methyl]-1,9-diazaspiro[4.5]decan-10-one?
The IUPAC name of 9-cyclopropyl-1-[(3-hydroxy-4-methoxyphenyl)methyl]-1,9-diazaspiro[4.5]decan-10-one (CID 162628045) is 9-cyclopropyl-1-[(3-hydroxy-4-methoxyphenyl)methyl]-1,9-diazaspiro[4.5]decan-10-one.
What is the SMILES notation for 9-cyclopropyl-1-[(3-hydroxy-4-methoxyphenyl)methyl]-1,9-diazaspiro[4.5]decan-10-one?
The canonical SMILES for 9-cyclopropyl-1-[(3-hydroxy-4-methoxyphenyl)methyl]-1,9-diazaspiro[4.5]decan-10-one is COc1ccc(CN2CCCC23CCCN(C2CC2)C3=O)cc1O.
What is the InChIKey of 9-cyclopropyl-1-[(3-hydroxy-4-methoxyphenyl)methyl]-1,9-diazaspiro[4.5]decan-10-one?
The InChIKey is BMRUCMXJLGTJKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-24-17-7-4-14(12-16(17)22)13-20-10-2-8-19(20)9-3-11-21(18(19)23)15-5-6-15/h4,7,12,15,22H,2-3,5-6,8-11,13H2,1H3.
What are the key properties of 9-cyclopropyl-1-[(3-hydroxy-4-methoxyphenyl)methyl]-1,9-diazaspiro[4.5]decan-10-one?
9-cyclopropyl-1-[(3-hydroxy-4-methoxyphenyl)methyl]-1,9-diazaspiro[4.5]decan-10-one has a molecular weight of 330.43 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclopropyl-1-[(3-hydroxy-4-methoxyphenyl)methyl]-1,9-diazaspiro[4.5]decan-10-one is sourced from PubChem (CID 162628045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).