2-[(4-methoxyphenyl)methyl]-2,8-diazaspiro[4.5]decan-1-one;hydrochloride

C16H23ClN2O2 — CID 45074122

IUPAC2-[(4-methoxyphenyl)methyl]-2,8-diazaspiro[4.5]decan-1-one;hydrochloride
SMILESCOc1ccc(CN2CCC3(CCNCC3)C2=O)cc1.Cl
InChIInChI=1S/C16H22N2O2.ClH/c1-20-14-4-2-13(3-5-14)12-18-11-8-16(15(18)19)6-9-17-10-7-16;/h2-5,17H,6-12H2,1H3;1H
InChIKeyTXQVMUSCGJRBAJ-UHFFFAOYSA-N
MW310.82 g/mol
LogP2.22
Rot. Bonds3

About 2-[(4-methoxyphenyl)methyl]-2,8-diazaspiro[4.5]decan-1-one;hydrochloride

2-[(4-methoxyphenyl)methyl]-2,8-diazaspiro[4.5]decan-1-one;hydrochloride (PubChem CID 45074122) has the molecular formula C16H23ClN2O2 and a molecular weight of 310.82 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methyl]-2,8-diazaspiro[4.5]decan-1-one;hydrochloride.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methyl]-2,8-diazaspiro[4.5]decan-1-one;hydrochloride
PubChem CID45074122
Molecular FormulaC16H23ClN2O2
Molecular Weight310.82 g/mol
Exact Mass310.14
IUPAC Name2-[(4-methoxyphenyl)methyl]-2,8-diazaspiro[4.5]decan-1-one;hydrochloride
SMILESCOc1ccc(CN2CCC3(CCNCC3)C2=O)cc1.Cl
InChIInChI=1S/C16H22N2O2.ClH/c1-20-14-4-2-13(3-5-14)12-18-11-8-16(15(18)19)6-9-17-10-7-16;/h2-5,17H,6-12H2,1H3;1H
InChIKeyTXQVMUSCGJRBAJ-UHFFFAOYSA-N
XLogP2.22
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.82
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(4-methoxyphenyl)methyl]-2,8-diazaspiro[4.5]decan-1-one;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(4-methoxyphenyl)methyl]-6,6-dimethyl-1,4-diazepan-5-one
CID 115100594
3-[(4-methoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;hydrochloride
CID 68626194
2-benzyl-8-(4-methoxyphenyl)sulfonyl-2,8-diazaspiro[4.5]decan-1-one
CID 71771055
2-[(4-methoxyphenyl)methyl]-8-[(4-phenylpyrrolidin-3-yl)methyl]-2,8-diazaspiro[4.5]decan-1-one
CID 67368996
1-[(4-methoxyphenyl)methyl]-3,3-dipropylpyrrolidin-2-one
CID 142987888
2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one
CID 117003122
(5R)-7-[(4-methoxyphenyl)methyl]-2-[(3-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-1-one
CID 97373838
3-amino-1-[(4-methoxyphenyl)methyl]-3-methylpiperidin-2-one
CID 129101227
2-[(4-methoxyphenyl)methyl]-8-[3-methyl-2-oxo-1-[(3S,4S)-4-phenylpyrrolidin-3-yl]butyl]-2,8-diazaspiro[4.5]decan-1-one
CID 67368658
6-methoxy-1-[(4-methoxyphenyl)methyl]spiro[indole-3,4'-piperidine]-2-one
CID 15982400
2-[(4-methoxyphenyl)methyl]-1-oxo-N-propan-2-yl-2,9-diazaspiro[4.5]decane-9-carboxamide
CID 131652331
8-[2-(2-fluorophenyl)-2-oxo-1-[(3S,4S)-4-phenylpyrrolidin-3-yl]ethyl]-2-[(4-methoxyphenyl)methyl]-2,8-diazaspiro[4.5]decan-1-one;hydrochloride
CID 67368758

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methyl]-2,8-diazaspiro[4.5]decan-1-one;hydrochloride?
The IUPAC name of 2-[(4-methoxyphenyl)methyl]-2,8-diazaspiro[4.5]decan-1-one;hydrochloride (CID 45074122) is 2-[(4-methoxyphenyl)methyl]-2,8-diazaspiro[4.5]decan-1-one;hydrochloride.
What is the SMILES notation for 2-[(4-methoxyphenyl)methyl]-2,8-diazaspiro[4.5]decan-1-one;hydrochloride?
The canonical SMILES for 2-[(4-methoxyphenyl)methyl]-2,8-diazaspiro[4.5]decan-1-one;hydrochloride is COc1ccc(CN2CCC3(CCNCC3)C2=O)cc1.Cl.
What is the InChIKey of 2-[(4-methoxyphenyl)methyl]-2,8-diazaspiro[4.5]decan-1-one;hydrochloride?
The InChIKey is TXQVMUSCGJRBAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2.ClH/c1-20-14-4-2-13(3-5-14)12-18-11-8-16(15(18)19)6-9-17-10-7-16;/h2-5,17H,6-12H2,1H3;1H.
What are the key properties of 2-[(4-methoxyphenyl)methyl]-2,8-diazaspiro[4.5]decan-1-one;hydrochloride?
2-[(4-methoxyphenyl)methyl]-2,8-diazaspiro[4.5]decan-1-one;hydrochloride has a molecular weight of 310.82 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methyl]-2,8-diazaspiro[4.5]decan-1-one;hydrochloride is sourced from PubChem (CID 45074122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).