1-cyclopentyl-4-[2-methyl-1-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]propyl]piperazine

C19H30N6S — CID 655860

IUPAC1-cyclopentyl-4-[2-methyl-1-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]propyl]piperazine
SMILESCC(C)C(c1nnnn1Cc1cccs1)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C19H30N6S/c1-15(2)18(19-20-21-22-25(19)14-17-8-5-13-26-17)24-11-9-23(10-12-24)16-6-3-4-7-16/h5,8,13,15-16,18H,3-4,6-7,9-12,14H2,1-2H3
InChIKeyDMKKXCDJXZZGJN-UHFFFAOYSA-N
MW374.56 g/mol
LogP3.04
Rot. Bonds6

About 1-cyclopentyl-4-[2-methyl-1-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]propyl]piperazine

1-cyclopentyl-4-[2-methyl-1-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]propyl]piperazine (PubChem CID 655860) has the molecular formula C19H30N6S and a molecular weight of 374.56 g/mol. Its IUPAC name is 1-cyclopentyl-4-[2-methyl-1-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]propyl]piperazine.

Molecular Properties

Compound Name1-cyclopentyl-4-[2-methyl-1-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]propyl]piperazine
PubChem CID655860
Molecular FormulaC19H30N6S
Molecular Weight374.56 g/mol
Exact Mass374.23
IUPAC Name1-cyclopentyl-4-[2-methyl-1-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]propyl]piperazine
SMILESCC(C)C(c1nnnn1Cc1cccs1)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C19H30N6S/c1-15(2)18(19-20-21-22-25(19)14-17-8-5-13-26-17)24-11-9-23(10-12-24)16-6-3-4-7-16/h5,8,13,15-16,18H,3-4,6-7,9-12,14H2,1-2H3
InChIKeyDMKKXCDJXZZGJN-UHFFFAOYSA-N
XLogP3.04
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.56
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-cyclopentyl-4-[2-methyl-1-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]propyl]piperazine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-4-[2-methyl-1-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]propyl]piperazine?
The IUPAC name of 1-cyclopentyl-4-[2-methyl-1-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]propyl]piperazine (CID 655860) is 1-cyclopentyl-4-[2-methyl-1-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]propyl]piperazine.
What is the SMILES notation for 1-cyclopentyl-4-[2-methyl-1-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]propyl]piperazine?
The canonical SMILES for 1-cyclopentyl-4-[2-methyl-1-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]propyl]piperazine is CC(C)C(c1nnnn1Cc1cccs1)N1CCN(C2CCCC2)CC1.
What is the InChIKey of 1-cyclopentyl-4-[2-methyl-1-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]propyl]piperazine?
The InChIKey is DMKKXCDJXZZGJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N6S/c1-15(2)18(19-20-21-22-25(19)14-17-8-5-13-26-17)24-11-9-23(10-12-24)16-6-3-4-7-16/h5,8,13,15-16,18H,3-4,6-7,9-12,14H2,1-2H3.
What are the key properties of 1-cyclopentyl-4-[2-methyl-1-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]propyl]piperazine?
1-cyclopentyl-4-[2-methyl-1-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]propyl]piperazine has a molecular weight of 374.56 g/mol, XLogP of 3.04, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-4-[2-methyl-1-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]propyl]piperazine is sourced from PubChem (CID 655860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).