2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-7-azaspiro[3.5]nonane

C20H31N3O — CID 166800105

IUPAC2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-7-azaspiro[3.5]nonane
SMILESCOc1ccc(CN2CCN(C3CC4(CCNCC4)C3)CC2)cc1
InChIInChI=1S/C20H31N3O/c1-24-19-4-2-17(3-5-19)16-22-10-12-23(13-11-22)18-14-20(15-18)6-8-21-9-7-20/h2-5,18,21H,6-16H2,1H3
InChIKeyJREMIICOEBGOSW-UHFFFAOYSA-N
MW329.49 g/mol
LogP2.35
Rot. Bonds4

About 2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-7-azaspiro[3.5]nonane

2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-7-azaspiro[3.5]nonane (PubChem CID 166800105) has the molecular formula C20H31N3O and a molecular weight of 329.49 g/mol. Its IUPAC name is 2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-7-azaspiro[3.5]nonane.

Molecular Properties

Compound Name2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-7-azaspiro[3.5]nonane
PubChem CID166800105
Molecular FormulaC20H31N3O
Molecular Weight329.49 g/mol
Exact Mass329.25
IUPAC Name2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-7-azaspiro[3.5]nonane
SMILESCOc1ccc(CN2CCN(C3CC4(CCNCC4)C3)CC2)cc1
InChIInChI=1S/C20H31N3O/c1-24-19-4-2-17(3-5-19)16-22-10-12-23(13-11-22)18-14-20(15-18)6-8-21-9-7-20/h2-5,18,21H,6-16H2,1H3
InChIKeyJREMIICOEBGOSW-UHFFFAOYSA-N
XLogP2.35
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.49
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-7-azaspiro[3.5]nonane 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

1-[(6-methoxynaphthalen-2-yl)methyl]-4-[(3S)-pyrrolidin-3-yl]piperazine
CID 125118230
2-[2-(5-fluoro-2-propan-2-ylphenyl)-4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-7-azaspiro[3.5]nonane
CID 157413400
1,4,7-tris[(4-methoxyphenyl)methyl]-1,4,7-triazecane
CID 66887441
1-[1-[[4-(4-methoxyphenoxy)phenyl]methyl]pyrrolidin-3-yl]piperazine;hydrochloride
CID 120968141
1-[(4-methoxyphenyl)methyl]-4-(3-methylcyclopentyl)-1,4-diazepane
CID 75397616
4-(methoxymethyl)-N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]piperidine-4-carboxamide
CID 120645450
4-(methoxymethyl)-2-[(4-methoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane
CID 91910494
1-cyclohexyl-4-[[4-(4-methoxyphenyl)sulfonylphenyl]methyl]piperazine
CID 178026947
(3R)-3-(methoxymethyl)-8-[(4-methoxyphenyl)methyl]-2-methyl-2,8-diazaspiro[4.5]decane
CID 97476268
9-[(4-methoxyphenyl)methyl]-1,5,9-triazaspiro[5.5]undecan-4-one
CID 58245219
2-[4-[(3,5-dimethoxyphenyl)methyl]-2-(2-propan-2-ylphenyl)piperazin-1-yl]-7-azaspiro[3.5]nonane
CID 166491947
2,8-bis[(4-methoxyphenyl)methyl]-3,3-dimethyl-2,8-diazaspiro[4.5]decane;1-chloroethyl carbonochloridate;2-[(4-methoxyphenyl)methyl]-3,3-dimethyl-2,8-diazaspiro[4.5]decane
CID 158327411

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-7-azaspiro[3.5]nonane?
The IUPAC name of 2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-7-azaspiro[3.5]nonane (CID 166800105) is 2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-7-azaspiro[3.5]nonane.
What is the SMILES notation for 2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-7-azaspiro[3.5]nonane?
The canonical SMILES for 2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-7-azaspiro[3.5]nonane is COc1ccc(CN2CCN(C3CC4(CCNCC4)C3)CC2)cc1.
What is the InChIKey of 2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-7-azaspiro[3.5]nonane?
The InChIKey is JREMIICOEBGOSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O/c1-24-19-4-2-17(3-5-19)16-22-10-12-23(13-11-22)18-14-20(15-18)6-8-21-9-7-20/h2-5,18,21H,6-16H2,1H3.
What are the key properties of 2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-7-azaspiro[3.5]nonane?
2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-7-azaspiro[3.5]nonane has a molecular weight of 329.49 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-7-azaspiro[3.5]nonane is sourced from PubChem (CID 166800105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).