[4-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]-cyclopentylmethanone

C18H23ClN6O — CID 30936500

IUPAC[4-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]-cyclopentylmethanone
SMILESO=C(C1CCCC1)N1CCN(Cc2nnnn2-c2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H23ClN6O/c19-15-5-7-16(8-6-15)25-17(20-21-22-25)13-23-9-11-24(12-10-23)18(26)14-3-1-2-4-14/h5-8,14H,1-4,9-13H2
InChIKeyRNSFWOCVUHDSKE-UHFFFAOYSA-N
MW374.88 g/mol
LogP2.15
Rot. Bonds4

About [4-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]-cyclopentylmethanone

[4-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]-cyclopentylmethanone (PubChem CID 30936500) has the molecular formula C18H23ClN6O and a molecular weight of 374.88 g/mol. Its IUPAC name is [4-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]-cyclopentylmethanone.

Molecular Properties

Compound Name[4-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]-cyclopentylmethanone
PubChem CID30936500
Molecular FormulaC18H23ClN6O
Molecular Weight374.88 g/mol
Exact Mass374.16
IUPAC Name[4-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]-cyclopentylmethanone
SMILESO=C(C1CCCC1)N1CCN(Cc2nnnn2-c2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H23ClN6O/c19-15-5-7-16(8-6-15)25-17(20-21-22-25)13-23-9-11-24(12-10-23)18(26)14-3-1-2-4-14/h5-8,14H,1-4,9-13H2
InChIKeyRNSFWOCVUHDSKE-UHFFFAOYSA-N
XLogP2.15
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.88
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [4-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]-cyclopentylmethanone 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

cyclopropyl-[4-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperazin-1-yl]methanone
CID 55856055
1-[4-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]propan-1-one
CID 30936476
1-[4-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]pentan-1-one
CID 30936482
[4-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]-(2-fluorophenyl)methanone
CID 30936606
(4-chlorophenyl)-[4-[(1-phenyltetrazol-5-yl)methyl]-1,4-diazepan-1-yl]methanone
CID 47536185
(5-bromofuran-2-yl)-[4-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone
CID 30936814
1-[4-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]-2-naphthalen-1-ylethanone
CID 30857832
(2-chloro-6-fluorophenyl)-[4-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone
CID 30937119
1-[4-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]ethanone
CID 30858208
[4-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]-(2,4-dimethoxyphenyl)methanone
CID 30936586
(Z)-1-[4-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]-3-(4-methoxyphenyl)prop-2-en-1-one
CID 30936964
4-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-N-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 29340252

Frequently Asked Questions

What is the IUPAC name of [4-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]-cyclopentylmethanone?
The IUPAC name of [4-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]-cyclopentylmethanone (CID 30936500) is [4-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]-cyclopentylmethanone.
What is the SMILES notation for [4-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]-cyclopentylmethanone?
The canonical SMILES for [4-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]-cyclopentylmethanone is O=C(C1CCCC1)N1CCN(Cc2nnnn2-c2ccc(Cl)cc2)CC1.
What is the InChIKey of [4-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]-cyclopentylmethanone?
The InChIKey is RNSFWOCVUHDSKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN6O/c19-15-5-7-16(8-6-15)25-17(20-21-22-25)13-23-9-11-24(12-10-23)18(26)14-3-1-2-4-14/h5-8,14H,1-4,9-13H2.
What are the key properties of [4-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]-cyclopentylmethanone?
[4-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]-cyclopentylmethanone has a molecular weight of 374.88 g/mol, XLogP of 2.15, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]-cyclopentylmethanone is sourced from PubChem (CID 30936500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).