1-[(S)-(4-chlorophenyl)-(1-cyclopentyltetrazol-5-yl)methyl]-4-cyclopentylpiperazine

C22H31ClN6 — CID 1443494

IUPAC1-[(S)-(4-chlorophenyl)-(1-cyclopentyltetrazol-5-yl)methyl]-4-cyclopentylpiperazine
SMILESClc1ccc([C@@H](c2nnnn2C2CCCC2)N2CCN(C3CCCC3)CC2)cc1
InChIInChI=1S/C22H31ClN6/c23-18-11-9-17(10-12-18)21(22-24-25-26-29(22)20-7-3-4-8-20)28-15-13-27(14-16-28)19-5-1-2-6-19/h9-12,19-21H,1-8,13-16H2/t21-/m0/s1
InChIKeyGWPDQGVMVKKXPX-NRFANRHFSA-N
MW414.99 g/mol
LogP4.09
Rot. Bonds5

About 1-[(S)-(4-chlorophenyl)-(1-cyclopentyltetrazol-5-yl)methyl]-4-cyclopentylpiperazine

1-[(S)-(4-chlorophenyl)-(1-cyclopentyltetrazol-5-yl)methyl]-4-cyclopentylpiperazine (PubChem CID 1443494) has the molecular formula C22H31ClN6 and a molecular weight of 414.99 g/mol. Its IUPAC name is 1-[(S)-(4-chlorophenyl)-(1-cyclopentyltetrazol-5-yl)methyl]-4-cyclopentylpiperazine.

Molecular Properties

Compound Name1-[(S)-(4-chlorophenyl)-(1-cyclopentyltetrazol-5-yl)methyl]-4-cyclopentylpiperazine
PubChem CID1443494
Molecular FormulaC22H31ClN6
Molecular Weight414.99 g/mol
Exact Mass414.23
IUPAC Name1-[(S)-(4-chlorophenyl)-(1-cyclopentyltetrazol-5-yl)methyl]-4-cyclopentylpiperazine
SMILESClc1ccc([C@@H](c2nnnn2C2CCCC2)N2CCN(C3CCCC3)CC2)cc1
InChIInChI=1S/C22H31ClN6/c23-18-11-9-17(10-12-18)21(22-24-25-26-29(22)20-7-3-4-8-20)28-15-13-27(14-16-28)19-5-1-2-6-19/h9-12,19-21H,1-8,13-16H2/t21-/m0/s1
InChIKeyGWPDQGVMVKKXPX-NRFANRHFSA-N
XLogP4.09
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.99
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(4-chlorophenyl)-(1-cyclopentyltetrazol-5-yl)methyl]thiomorpholine
CID 649276
1-cyclohexyl-4-[(1-cyclohexyltetrazol-5-yl)-(4-methylphenyl)methyl]piperazine
CID 3208575
4-[(4-chlorophenyl)-(1-cyclohexyltetrazol-5-yl)methyl]thiomorpholine
CID 3193514
1-[(S)-(4-chlorophenyl)-(1-cyclopentyltetrazol-5-yl)methyl]-4-(pyridin-4-ylmethyl)piperazine
CID 1443491
1-[(4-chlorophenyl)-(1-cyclohexyltetrazol-5-yl)methyl]-4-(pyridin-4-ylmethyl)piperazine
CID 3208596
1-[(1-benzyltetrazol-5-yl)-(4-chlorophenyl)methyl]-4-cyclopentylpiperazine
CID 3209706
2-[(S)-(4-chlorophenyl)-(1-cyclopentyltetrazol-5-yl)methyl]-3,4-dihydro-1H-isoquinoline
CID 1433795
2-[(1-cyclopentyltetrazol-5-yl)-(4-methylphenyl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 3193591
1-[(R)-(4-chlorophenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-4-cyclopentylpiperazine
CID 1449106
1-[(S)-(4-chlorophenyl)-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]-4-cyclopentylpiperazine
CID 1445861
4-[(S)-azepan-1-yl-(1-cyclopentyltetrazol-5-yl)methyl]phenol
CID 861193
1-[(1-cyclopentyltetrazol-5-yl)-(4-fluorophenyl)methyl]piperidine
CID 3173834

Frequently Asked Questions

What is the IUPAC name of 1-[(S)-(4-chlorophenyl)-(1-cyclopentyltetrazol-5-yl)methyl]-4-cyclopentylpiperazine?
The IUPAC name of 1-[(S)-(4-chlorophenyl)-(1-cyclopentyltetrazol-5-yl)methyl]-4-cyclopentylpiperazine (CID 1443494) is 1-[(S)-(4-chlorophenyl)-(1-cyclopentyltetrazol-5-yl)methyl]-4-cyclopentylpiperazine.
What is the SMILES notation for 1-[(S)-(4-chlorophenyl)-(1-cyclopentyltetrazol-5-yl)methyl]-4-cyclopentylpiperazine?
The canonical SMILES for 1-[(S)-(4-chlorophenyl)-(1-cyclopentyltetrazol-5-yl)methyl]-4-cyclopentylpiperazine is Clc1ccc([C@@H](c2nnnn2C2CCCC2)N2CCN(C3CCCC3)CC2)cc1.
What is the InChIKey of 1-[(S)-(4-chlorophenyl)-(1-cyclopentyltetrazol-5-yl)methyl]-4-cyclopentylpiperazine?
The InChIKey is GWPDQGVMVKKXPX-NRFANRHFSA-N. The full InChI is InChI=1S/C22H31ClN6/c23-18-11-9-17(10-12-18)21(22-24-25-26-29(22)20-7-3-4-8-20)28-15-13-27(14-16-28)19-5-1-2-6-19/h9-12,19-21H,1-8,13-16H2/t21-/m0/s1.
What are the key properties of 1-[(S)-(4-chlorophenyl)-(1-cyclopentyltetrazol-5-yl)methyl]-4-cyclopentylpiperazine?
1-[(S)-(4-chlorophenyl)-(1-cyclopentyltetrazol-5-yl)methyl]-4-cyclopentylpiperazine has a molecular weight of 414.99 g/mol, XLogP of 4.09, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(S)-(4-chlorophenyl)-(1-cyclopentyltetrazol-5-yl)methyl]-4-cyclopentylpiperazine is sourced from PubChem (CID 1443494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).