1-[(1-cyclopentyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-methylpiperazine

C19H28N6O — CID 3777246

IUPAC1-[(1-cyclopentyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-methylpiperazine
SMILESCOc1ccc(C(c2nnnn2C2CCCC2)N2CCN(C)CC2)cc1
InChIInChI=1S/C19H28N6O/c1-23-11-13-24(14-12-23)18(15-7-9-17(26-2)10-8-15)19-20-21-22-25(19)16-5-3-4-6-16/h7-10,16,18H,3-6,11-14H2,1-2H3
InChIKeyAACVNWAYEPXLMZ-UHFFFAOYSA-N
MW356.47 g/mol
LogP2.13
Rot. Bonds5

About 1-[(1-cyclopentyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-methylpiperazine

1-[(1-cyclopentyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-methylpiperazine (PubChem CID 3777246) has the molecular formula C19H28N6O and a molecular weight of 356.47 g/mol. Its IUPAC name is 1-[(1-cyclopentyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[(1-cyclopentyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-methylpiperazine
PubChem CID3777246
Molecular FormulaC19H28N6O
Molecular Weight356.47 g/mol
Exact Mass356.23
IUPAC Name1-[(1-cyclopentyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-methylpiperazine
SMILESCOc1ccc(C(c2nnnn2C2CCCC2)N2CCN(C)CC2)cc1
InChIInChI=1S/C19H28N6O/c1-23-11-13-24(14-12-23)18(15-7-9-17(26-2)10-8-15)19-20-21-22-25(19)16-5-3-4-6-16/h7-10,16,18H,3-6,11-14H2,1-2H3
InChIKeyAACVNWAYEPXLMZ-UHFFFAOYSA-N
XLogP2.13
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[(1-cyclopentyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-methylpiperazine 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-[(1-cyclohexyltetrazol-5-yl)-(4-ethoxyphenyl)methyl]-4-methylpiperazine
CID 3208612
1-[(S)-(1-cyclopentyltetrazol-5-yl)-phenylmethyl]-4-methylpiperazine
CID 858129
1-[(1-cyclohexyltetrazol-5-yl)-(3,4-dimethoxyphenyl)methyl]-4-methylpiperazine
CID 3201719
4-[(S)-(1-cyclohexyltetrazol-5-yl)-(4-methylpiperazin-1-yl)methyl]-N,N-dimethylaniline
CID 1433910
4-[(R)-(1-cyclohexyltetrazol-5-yl)-(4-methylpiperazin-1-yl)methyl]-N,N-dimethylaniline
CID 1433911
1-[(S)-(1-cyclopentyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine
CID 92764820
1-[(S)-(1-cyclopentyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-(2,5-dimethylphenyl)piperazine
CID 1443517
1-[(1-cyclopentyltetrazol-5-yl)-(4-ethoxyphenyl)methyl]-4-ethylpiperazine;hydrochloride
CID 171668163
1-cyclopentyl-4-[[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methoxyphenyl)methyl]piperazine
CID 3209334
1-cyclohexyl-4-[(1-cyclohexyltetrazol-5-yl)-(4-methylphenyl)methyl]piperazine
CID 3208575
8-[(1-cyclohexyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 51360823
1-[(S)-(4-chlorophenyl)-(1-cyclopentyltetrazol-5-yl)methyl]-4-cyclopentylpiperazine
CID 1443494

Frequently Asked Questions

What is the IUPAC name of 1-[(1-cyclopentyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-methylpiperazine?
The IUPAC name of 1-[(1-cyclopentyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-methylpiperazine (CID 3777246) is 1-[(1-cyclopentyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-methylpiperazine.
What is the SMILES notation for 1-[(1-cyclopentyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-methylpiperazine?
The canonical SMILES for 1-[(1-cyclopentyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-methylpiperazine is COc1ccc(C(c2nnnn2C2CCCC2)N2CCN(C)CC2)cc1.
What is the InChIKey of 1-[(1-cyclopentyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-methylpiperazine?
The InChIKey is AACVNWAYEPXLMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O/c1-23-11-13-24(14-12-23)18(15-7-9-17(26-2)10-8-15)19-20-21-22-25(19)16-5-3-4-6-16/h7-10,16,18H,3-6,11-14H2,1-2H3.
What are the key properties of 1-[(1-cyclopentyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-methylpiperazine?
1-[(1-cyclopentyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-methylpiperazine has a molecular weight of 356.47 g/mol, XLogP of 2.13, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-cyclopentyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-methylpiperazine is sourced from PubChem (CID 3777246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).