1-cyclopentyl-4-[(R)-(1-cyclopentyltetrazol-5-yl)-(4-methoxyphenyl)methyl]piperazine-1,4-diium

C23H36N6O+2 — CID 7383880

IUPAC1-cyclopentyl-4-[(R)-(1-cyclopentyltetrazol-5-yl)-(4-methoxyphenyl)methyl]piperazine-1,4-diium
SMILESCOc1ccc([C@H](c2nnnn2C2CCCC2)[NH+]2CC[NH+](C3CCCC3)CC2)cc1
InChIInChI=1S/C23H34N6O/c1-30-21-12-10-18(11-13-21)22(23-24-25-26-29(23)20-8-4-5-9-20)28-16-14-27(15-17-28)19-6-2-3-7-19/h10-13,19-20,22H,2-9,14-17H2,1H3/p+2/t22-/m1/s1
InChIKeyZXRRIDXYVLCPTM-JOCHJYFZSA-P
MW412.58 g/mol
LogP0.61
Rot. Bonds6

About 1-cyclopentyl-4-[(R)-(1-cyclopentyltetrazol-5-yl)-(4-methoxyphenyl)methyl]piperazine-1,4-diium

1-cyclopentyl-4-[(R)-(1-cyclopentyltetrazol-5-yl)-(4-methoxyphenyl)methyl]piperazine-1,4-diium (PubChem CID 7383880) has the molecular formula C23H36N6O+2 and a molecular weight of 412.58 g/mol. Its IUPAC name is 1-cyclopentyl-4-[(R)-(1-cyclopentyltetrazol-5-yl)-(4-methoxyphenyl)methyl]piperazine-1,4-diium.

Molecular Properties

Compound Name1-cyclopentyl-4-[(R)-(1-cyclopentyltetrazol-5-yl)-(4-methoxyphenyl)methyl]piperazine-1,4-diium
PubChem CID7383880
Molecular FormulaC23H36N6O+2
Molecular Weight412.58 g/mol
Exact Mass412.29
IUPAC Name1-cyclopentyl-4-[(R)-(1-cyclopentyltetrazol-5-yl)-(4-methoxyphenyl)methyl]piperazine-1,4-diium
SMILESCOc1ccc([C@H](c2nnnn2C2CCCC2)[NH+]2CC[NH+](C3CCCC3)CC2)cc1
InChIInChI=1S/C23H34N6O/c1-30-21-12-10-18(11-13-21)22(23-24-25-26-29(23)20-8-4-5-9-20)28-16-14-27(15-17-28)19-6-2-3-7-19/h10-13,19-20,22H,2-9,14-17H2,1H3/p+2/t22-/m1/s1
InChIKeyZXRRIDXYVLCPTM-JOCHJYFZSA-P
XLogP0.61
TPSA61.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.58
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-cyclopentyl-4-[(R)-(1-cyclopentyltetrazol-5-yl)-(4-methoxyphenyl)methyl]piperazine-1,4-diium with MolForge

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Launch Full Analysis

Related Compounds

1-cyclopentyl-4-[(R)-(1-cyclopentyltetrazol-5-yl)-(4-fluorophenyl)methyl]piperazine-1,4-diium
CID 7383860
1-[(R)-(4-chlorophenyl)-(1-cyclopentyltetrazol-5-yl)methyl]-4-methylpiperazine-1,4-diium
CID 7383139
1-[(R)-(1-cyclopentyltetrazol-5-yl)-phenylmethyl]-4-methylpiperazine-1,4-diium
CID 7383044
4-[(S)-(1-cyclopentyltetrazol-5-yl)-(4-methylpiperazine-1,4-diium-1-yl)methyl]-N,N-dimethylaniline
CID 7383081
1-[(S)-(1-cyclohexyltetrazol-5-yl)-(4-fluorophenyl)methyl]piperidin-1-ium
CID 7242468
1-cyclohexyl-5-[(R)-(4-fluorophenyl)-pyrrolidin-1-ium-1-ylmethyl]tetrazole
CID 7125336
1-[(R)-(1-cyclopentyltetrazol-5-yl)-phenylmethyl]-4-methylpiperidin-1-ium
CID 7382841
3-[(R)-(1-cyclopentyltetrazol-5-yl)-pyrrolidin-1-ium-1-ylmethyl]-7-methoxy-1H-quinolin-2-one
CID 6982821
1-[(1R)-1-(1-cyclohexyltetrazol-5-yl)propyl]-4-cyclopentylpiperazine-1,4-diium
CID 7224059
1-cyclopentyl-4-[(1R)-1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-2-methylpropyl]piperazine-1,4-diium
CID 7396682
3-[(S)-(1-cyclopentyltetrazol-5-yl)-piperidin-1-ium-1-ylmethyl]-6-methoxy-1H-quinolin-2-one
CID 6970769
1-[(S)-(1-cyclohexyltetrazol-5-yl)-phenylmethyl]-4-methylpiperidin-1-ium
CID 7382838

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-4-[(R)-(1-cyclopentyltetrazol-5-yl)-(4-methoxyphenyl)methyl]piperazine-1,4-diium?
The IUPAC name of 1-cyclopentyl-4-[(R)-(1-cyclopentyltetrazol-5-yl)-(4-methoxyphenyl)methyl]piperazine-1,4-diium (CID 7383880) is 1-cyclopentyl-4-[(R)-(1-cyclopentyltetrazol-5-yl)-(4-methoxyphenyl)methyl]piperazine-1,4-diium.
What is the SMILES notation for 1-cyclopentyl-4-[(R)-(1-cyclopentyltetrazol-5-yl)-(4-methoxyphenyl)methyl]piperazine-1,4-diium?
The canonical SMILES for 1-cyclopentyl-4-[(R)-(1-cyclopentyltetrazol-5-yl)-(4-methoxyphenyl)methyl]piperazine-1,4-diium is COc1ccc([C@H](c2nnnn2C2CCCC2)[NH+]2CC[NH+](C3CCCC3)CC2)cc1.
What is the InChIKey of 1-cyclopentyl-4-[(R)-(1-cyclopentyltetrazol-5-yl)-(4-methoxyphenyl)methyl]piperazine-1,4-diium?
The InChIKey is ZXRRIDXYVLCPTM-JOCHJYFZSA-P. The full InChI is InChI=1S/C23H34N6O/c1-30-21-12-10-18(11-13-21)22(23-24-25-26-29(23)20-8-4-5-9-20)28-16-14-27(15-17-28)19-6-2-3-7-19/h10-13,19-20,22H,2-9,14-17H2,1H3/p+2/t22-/m1/s1.
What are the key properties of 1-cyclopentyl-4-[(R)-(1-cyclopentyltetrazol-5-yl)-(4-methoxyphenyl)methyl]piperazine-1,4-diium?
1-cyclopentyl-4-[(R)-(1-cyclopentyltetrazol-5-yl)-(4-methoxyphenyl)methyl]piperazine-1,4-diium has a molecular weight of 412.58 g/mol, XLogP of 0.61, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-4-[(R)-(1-cyclopentyltetrazol-5-yl)-(4-methoxyphenyl)methyl]piperazine-1,4-diium is sourced from PubChem (CID 7383880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).