1-[(S)-(4-chlorophenyl)-(1-cyclopentyltetrazol-5-yl)methyl]-4-(pyridin-4-ylmethyl)piperazine

C23H28ClN7 — CID 1443491

IUPAC1-[(S)-(4-chlorophenyl)-(1-cyclopentyltetrazol-5-yl)methyl]-4-(pyridin-4-ylmethyl)piperazine
SMILESClc1ccc([C@H](c2nnnn2C2CCCC2)N2CCN(Cc3ccncc3)CC2)cc1
InChIInChI=1S/C23H28ClN7/c24-20-7-5-19(6-8-20)22(23-26-27-28-31(23)21-3-1-2-4-21)30-15-13-29(14-16-30)17-18-9-11-25-12-10-18/h5-12,21-22H,1-4,13-17H2/t22-/m1/s1
InChIKeySONAJNQDRUOQHK-JOCHJYFZSA-N
MW437.98 g/mol
LogP3.74
Rot. Bonds6

About 1-[(S)-(4-chlorophenyl)-(1-cyclopentyltetrazol-5-yl)methyl]-4-(pyridin-4-ylmethyl)piperazine

1-[(S)-(4-chlorophenyl)-(1-cyclopentyltetrazol-5-yl)methyl]-4-(pyridin-4-ylmethyl)piperazine (PubChem CID 1443491) has the molecular formula C23H28ClN7 and a molecular weight of 437.98 g/mol. Its IUPAC name is 1-[(S)-(4-chlorophenyl)-(1-cyclopentyltetrazol-5-yl)methyl]-4-(pyridin-4-ylmethyl)piperazine.

Molecular Properties

Compound Name1-[(S)-(4-chlorophenyl)-(1-cyclopentyltetrazol-5-yl)methyl]-4-(pyridin-4-ylmethyl)piperazine
PubChem CID1443491
Molecular FormulaC23H28ClN7
Molecular Weight437.98 g/mol
Exact Mass437.21
IUPAC Name1-[(S)-(4-chlorophenyl)-(1-cyclopentyltetrazol-5-yl)methyl]-4-(pyridin-4-ylmethyl)piperazine
SMILESClc1ccc([C@H](c2nnnn2C2CCCC2)N2CCN(Cc3ccncc3)CC2)cc1
InChIInChI=1S/C23H28ClN7/c24-20-7-5-19(6-8-20)22(23-26-27-28-31(23)21-3-1-2-4-21)30-15-13-29(14-16-30)17-18-9-11-25-12-10-18/h5-12,21-22H,1-4,13-17H2/t22-/m1/s1
InChIKeySONAJNQDRUOQHK-JOCHJYFZSA-N
XLogP3.74
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.98
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[(4-chlorophenyl)-(1-cyclohexyltetrazol-5-yl)methyl]-4-(pyridin-4-ylmethyl)piperazine
CID 3208596
1-[(1-cyclopentyltetrazol-5-yl)-(4-fluorophenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine;hydrochloride
CID 6603045
1-[(S)-(1-cyclopentyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine
CID 92764820
1-[(S)-(4-chlorophenyl)-(1-cyclopentyltetrazol-5-yl)methyl]-4-cyclopentylpiperazine
CID 1443494
1-benzyl-4-[(S)-(1-cyclohexyltetrazol-5-yl)-(4-fluorophenyl)methyl]piperazine
CID 1443040
1-[(S)-(1-cyclopentyltetrazol-5-yl)-(4-fluorophenyl)methyl]-4-(pyridin-3-ylmethyl)piperazine
CID 1443464
4-[(4-chlorophenyl)-(1-cyclopentyltetrazol-5-yl)methyl]thiomorpholine
CID 649276
4-[(4-chlorophenyl)-(1-cyclohexyltetrazol-5-yl)methyl]thiomorpholine
CID 3193514
1-[(4-chlorophenyl)methyl]-4-[(1S)-1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]piperazine
CID 1443291
1-benzyl-4-[(1-cyclopentyltetrazol-5-yl)-(2-fluorophenyl)methyl]piperazine
CID 3208818
3-[(1-cyclopentyltetrazol-5-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]-6,7-dimethoxy-1H-quinolin-2-one
CID 3150463
1-[(1-cyclohexyltetrazol-5-yl)-(4-fluorophenyl)methyl]-4-ethylpiperazine;hydrochloride
CID 171668115

Frequently Asked Questions

What is the IUPAC name of 1-[(S)-(4-chlorophenyl)-(1-cyclopentyltetrazol-5-yl)methyl]-4-(pyridin-4-ylmethyl)piperazine?
The IUPAC name of 1-[(S)-(4-chlorophenyl)-(1-cyclopentyltetrazol-5-yl)methyl]-4-(pyridin-4-ylmethyl)piperazine (CID 1443491) is 1-[(S)-(4-chlorophenyl)-(1-cyclopentyltetrazol-5-yl)methyl]-4-(pyridin-4-ylmethyl)piperazine.
What is the SMILES notation for 1-[(S)-(4-chlorophenyl)-(1-cyclopentyltetrazol-5-yl)methyl]-4-(pyridin-4-ylmethyl)piperazine?
The canonical SMILES for 1-[(S)-(4-chlorophenyl)-(1-cyclopentyltetrazol-5-yl)methyl]-4-(pyridin-4-ylmethyl)piperazine is Clc1ccc([C@H](c2nnnn2C2CCCC2)N2CCN(Cc3ccncc3)CC2)cc1.
What is the InChIKey of 1-[(S)-(4-chlorophenyl)-(1-cyclopentyltetrazol-5-yl)methyl]-4-(pyridin-4-ylmethyl)piperazine?
The InChIKey is SONAJNQDRUOQHK-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H28ClN7/c24-20-7-5-19(6-8-20)22(23-26-27-28-31(23)21-3-1-2-4-21)30-15-13-29(14-16-30)17-18-9-11-25-12-10-18/h5-12,21-22H,1-4,13-17H2/t22-/m1/s1.
What are the key properties of 1-[(S)-(4-chlorophenyl)-(1-cyclopentyltetrazol-5-yl)methyl]-4-(pyridin-4-ylmethyl)piperazine?
1-[(S)-(4-chlorophenyl)-(1-cyclopentyltetrazol-5-yl)methyl]-4-(pyridin-4-ylmethyl)piperazine has a molecular weight of 437.98 g/mol, XLogP of 3.74, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(S)-(4-chlorophenyl)-(1-cyclopentyltetrazol-5-yl)methyl]-4-(pyridin-4-ylmethyl)piperazine is sourced from PubChem (CID 1443491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).