1-cyclopentyl-4-[(1S)-1-[1-(2-methoxyethyl)tetrazol-5-yl]pentyl]piperazine

C18H34N6O — CID 7391504

IUPAC1-cyclopentyl-4-[(1S)-1-[1-(2-methoxyethyl)tetrazol-5-yl]pentyl]piperazine
SMILESCCCC[C@@H](c1nnnn1CCOC)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C18H34N6O/c1-3-4-9-17(18-19-20-21-24(18)14-15-25-2)23-12-10-22(11-13-23)16-7-5-6-8-16/h16-17H,3-15H2,1-2H3/t17-/m0/s1
InChIKeyFYMINBFSDHWSQQ-KRWDZBQOSA-N
MW350.51 g/mol
LogP2.11
Rot. Bonds9

About 1-cyclopentyl-4-[(1S)-1-[1-(2-methoxyethyl)tetrazol-5-yl]pentyl]piperazine

1-cyclopentyl-4-[(1S)-1-[1-(2-methoxyethyl)tetrazol-5-yl]pentyl]piperazine (PubChem CID 7391504) has the molecular formula C18H34N6O and a molecular weight of 350.51 g/mol. Its IUPAC name is 1-cyclopentyl-4-[(1S)-1-[1-(2-methoxyethyl)tetrazol-5-yl]pentyl]piperazine.

Molecular Properties

Compound Name1-cyclopentyl-4-[(1S)-1-[1-(2-methoxyethyl)tetrazol-5-yl]pentyl]piperazine
PubChem CID7391504
Molecular FormulaC18H34N6O
Molecular Weight350.51 g/mol
Exact Mass350.28
IUPAC Name1-cyclopentyl-4-[(1S)-1-[1-(2-methoxyethyl)tetrazol-5-yl]pentyl]piperazine
SMILESCCCC[C@@H](c1nnnn1CCOC)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C18H34N6O/c1-3-4-9-17(18-19-20-21-24(18)14-15-25-2)23-12-10-22(11-13-23)16-7-5-6-8-16/h16-17H,3-15H2,1-2H3/t17-/m0/s1
InChIKeyFYMINBFSDHWSQQ-KRWDZBQOSA-N
XLogP2.11
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.51
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-cyclopentyl-4-[(1S)-1-[1-(2-phenylethyl)tetrazol-5-yl]pentyl]piperazine
CID 7397380
1-[(1R)-1-(1-cyclohexyltetrazol-5-yl)pentyl]-4-cyclopentylpiperazine
CID 7383612
1-cyclohexyl-4-[1-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]pentyl]piperazine
CID 5011336
1-cyclopentyl-4-[1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]pentyl]piperazine
CID 3209073
1-cyclohexyl-4-[1-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]pentyl]piperazine
CID 5009676
1-benzyl-4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]pentyl]piperazine chloride
CID 53314022
1-cyclopentyl-4-[[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methoxyphenyl)methyl]piperazine
CID 3209334
1-cyclopentyl-4-[(R)-(3,4-dimethoxyphenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperazine
CID 7391672
furan-2-yl-[4-[(1R)-1-[1-(2-methoxyethyl)tetrazol-5-yl]pentyl]piperazin-1-yl]methanone
CID 7391486
furan-2-yl-[4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]pentyl]piperazin-1-yl]methanone
CID 644981
1-benzhydryl-4-[(1S)-1-[1-(2-methoxyethyl)tetrazol-5-yl]butyl]piperazine
CID 51625660
(8aS)-2-[(S)-(4-chlorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 7140758

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-4-[(1S)-1-[1-(2-methoxyethyl)tetrazol-5-yl]pentyl]piperazine?
The IUPAC name of 1-cyclopentyl-4-[(1S)-1-[1-(2-methoxyethyl)tetrazol-5-yl]pentyl]piperazine (CID 7391504) is 1-cyclopentyl-4-[(1S)-1-[1-(2-methoxyethyl)tetrazol-5-yl]pentyl]piperazine.
What is the SMILES notation for 1-cyclopentyl-4-[(1S)-1-[1-(2-methoxyethyl)tetrazol-5-yl]pentyl]piperazine?
The canonical SMILES for 1-cyclopentyl-4-[(1S)-1-[1-(2-methoxyethyl)tetrazol-5-yl]pentyl]piperazine is CCCC[C@@H](c1nnnn1CCOC)N1CCN(C2CCCC2)CC1.
What is the InChIKey of 1-cyclopentyl-4-[(1S)-1-[1-(2-methoxyethyl)tetrazol-5-yl]pentyl]piperazine?
The InChIKey is FYMINBFSDHWSQQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H34N6O/c1-3-4-9-17(18-19-20-21-24(18)14-15-25-2)23-12-10-22(11-13-23)16-7-5-6-8-16/h16-17H,3-15H2,1-2H3/t17-/m0/s1.
What are the key properties of 1-cyclopentyl-4-[(1S)-1-[1-(2-methoxyethyl)tetrazol-5-yl]pentyl]piperazine?
1-cyclopentyl-4-[(1S)-1-[1-(2-methoxyethyl)tetrazol-5-yl]pentyl]piperazine has a molecular weight of 350.51 g/mol, XLogP of 2.11, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-4-[(1S)-1-[1-(2-methoxyethyl)tetrazol-5-yl]pentyl]piperazine is sourced from PubChem (CID 7391504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).