1-[(S)-(1-cyclopentyltetrazol-5-yl)-(2-methoxyphenyl)methyl]-4-phenylpiperazine

C24H30N6O — CID 1443560

IUPAC1-[(S)-(1-cyclopentyltetrazol-5-yl)-(2-methoxyphenyl)methyl]-4-phenylpiperazine
SMILESCOc1ccccc1[C@@H](c1nnnn1C1CCCC1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C24H30N6O/c1-31-22-14-8-7-13-21(22)23(24-25-26-27-30(24)20-11-5-6-12-20)29-17-15-28(16-18-29)19-9-3-2-4-10-19/h2-4,7-10,13-14,20,23H,5-6,11-12,15-18H2,1H3/t23-/m0/s1
InChIKeySWVPYRXMQSANRG-QHCPKHFHSA-N
MW418.55 g/mol
LogP3.71
Rot. Bonds6

About 1-[(S)-(1-cyclopentyltetrazol-5-yl)-(2-methoxyphenyl)methyl]-4-phenylpiperazine

1-[(S)-(1-cyclopentyltetrazol-5-yl)-(2-methoxyphenyl)methyl]-4-phenylpiperazine (PubChem CID 1443560) has the molecular formula C24H30N6O and a molecular weight of 418.55 g/mol. Its IUPAC name is 1-[(S)-(1-cyclopentyltetrazol-5-yl)-(2-methoxyphenyl)methyl]-4-phenylpiperazine.

Molecular Properties

Compound Name1-[(S)-(1-cyclopentyltetrazol-5-yl)-(2-methoxyphenyl)methyl]-4-phenylpiperazine
PubChem CID1443560
Molecular FormulaC24H30N6O
Molecular Weight418.55 g/mol
Exact Mass418.25
IUPAC Name1-[(S)-(1-cyclopentyltetrazol-5-yl)-(2-methoxyphenyl)methyl]-4-phenylpiperazine
SMILESCOc1ccccc1[C@@H](c1nnnn1C1CCCC1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C24H30N6O/c1-31-22-14-8-7-13-21(22)23(24-25-26-27-30(24)20-11-5-6-12-20)29-17-15-28(16-18-29)19-9-3-2-4-10-19/h2-4,7-10,13-14,20,23H,5-6,11-12,15-18H2,1H3/t23-/m0/s1
InChIKeySWVPYRXMQSANRG-QHCPKHFHSA-N
XLogP3.71
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.55
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[(1-cyclohexyltetrazol-5-yl)-(2,3-dimethoxyphenyl)methyl]-4-phenylpiperazine
CID 3208651
1-cyclohexyl-5-[(S)-(2-methoxyphenyl)-pyrrolidin-1-ylmethyl]tetrazole
CID 7436524
1-cyclohexyl-5-[(R)-(2-methoxyphenyl)-pyrrolidin-1-ylmethyl]tetrazole
CID 7436527
1-cyclohexyl-4-[(S)-(1-cyclopentyltetrazol-5-yl)-(2-methoxyphenyl)methyl]piperazine
CID 1443548
1-benzyl-4-[(R)-(1-cyclopentyltetrazol-5-yl)-(2-methoxyphenyl)methyl]piperazine
CID 51625541
1-[(1-cyclohexyltetrazol-5-yl)-(2-methoxyphenyl)methyl]-4-ethylpiperazine;hydrochloride
CID 6603625
1-[(S)-(1-cyclopentyltetrazol-5-yl)-phenylmethyl]-4-phenylpiperazine
CID 1443350
1-[(R)-(1-cyclohexyltetrazol-5-yl)-(2-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 1443142
1-[(S)-(1-cyclopentyltetrazol-5-yl)-(4-methylphenyl)methyl]-4-(2-methoxyphenyl)piperazine
CID 1443400
1-[(R)-(1-cyclohexyltetrazol-5-yl)-pyridin-2-ylmethyl]-4-(2-methoxyphenyl)piperazine
CID 1435698
1-[1-(1-cyclohexyltetrazol-5-yl)propyl]-4-phenylpiperazine;hydrochloride
CID 175654215
1-[(S)-(1-cyclopentyltetrazol-5-yl)-(4-fluorophenyl)methyl]-4-(4-fluorophenyl)piperazine
CID 1443443

Frequently Asked Questions

What is the IUPAC name of 1-[(S)-(1-cyclopentyltetrazol-5-yl)-(2-methoxyphenyl)methyl]-4-phenylpiperazine?
The IUPAC name of 1-[(S)-(1-cyclopentyltetrazol-5-yl)-(2-methoxyphenyl)methyl]-4-phenylpiperazine (CID 1443560) is 1-[(S)-(1-cyclopentyltetrazol-5-yl)-(2-methoxyphenyl)methyl]-4-phenylpiperazine.
What is the SMILES notation for 1-[(S)-(1-cyclopentyltetrazol-5-yl)-(2-methoxyphenyl)methyl]-4-phenylpiperazine?
The canonical SMILES for 1-[(S)-(1-cyclopentyltetrazol-5-yl)-(2-methoxyphenyl)methyl]-4-phenylpiperazine is COc1ccccc1[C@@H](c1nnnn1C1CCCC1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 1-[(S)-(1-cyclopentyltetrazol-5-yl)-(2-methoxyphenyl)methyl]-4-phenylpiperazine?
The InChIKey is SWVPYRXMQSANRG-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H30N6O/c1-31-22-14-8-7-13-21(22)23(24-25-26-27-30(24)20-11-5-6-12-20)29-17-15-28(16-18-29)19-9-3-2-4-10-19/h2-4,7-10,13-14,20,23H,5-6,11-12,15-18H2,1H3/t23-/m0/s1.
What are the key properties of 1-[(S)-(1-cyclopentyltetrazol-5-yl)-(2-methoxyphenyl)methyl]-4-phenylpiperazine?
1-[(S)-(1-cyclopentyltetrazol-5-yl)-(2-methoxyphenyl)methyl]-4-phenylpiperazine has a molecular weight of 418.55 g/mol, XLogP of 3.71, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(S)-(1-cyclopentyltetrazol-5-yl)-(2-methoxyphenyl)methyl]-4-phenylpiperazine is sourced from PubChem (CID 1443560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).