1-[(1R)-1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]piperidin-1-ium-4-carboxamide

C17H31N6O+ — CID 7383600

IUPAC1-[(1R)-1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]piperidin-1-ium-4-carboxamide
SMILESCC(C)[C@H](c1nnnn1C1CCCCC1)[NH+]1CCC(C(N)=O)CC1
InChIInChI=1S/C17H30N6O/c1-12(2)15(22-10-8-13(9-11-22)16(18)24)17-19-20-21-23(17)14-6-4-3-5-7-14/h12-15H,3-11H2,1-2H3,(H2,18,24)/p+1/t15-/m1/s1
InChIKeyHGZVXHHCZFPCQI-OAHLLOKOSA-O
MW335.48 g/mol
LogP0.66
Rot. Bonds5

About 1-[(1R)-1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]piperidin-1-ium-4-carboxamide

1-[(1R)-1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]piperidin-1-ium-4-carboxamide (PubChem CID 7383600) has the molecular formula C17H31N6O+ and a molecular weight of 335.48 g/mol. Its IUPAC name is 1-[(1R)-1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]piperidin-1-ium-4-carboxamide.

Molecular Properties

Compound Name1-[(1R)-1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]piperidin-1-ium-4-carboxamide
PubChem CID7383600
Molecular FormulaC17H31N6O+
Molecular Weight335.48 g/mol
Exact Mass335.26
IUPAC Name1-[(1R)-1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]piperidin-1-ium-4-carboxamide
SMILESCC(C)[C@H](c1nnnn1C1CCCCC1)[NH+]1CCC(C(N)=O)CC1
InChIInChI=1S/C17H30N6O/c1-12(2)15(22-10-8-13(9-11-22)16(18)24)17-19-20-21-23(17)14-6-4-3-5-7-14/h12-15H,3-11H2,1-2H3,(H2,18,24)/p+1/t15-/m1/s1
InChIKeyHGZVXHHCZFPCQI-OAHLLOKOSA-O
XLogP0.66
TPSA91.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.48
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(1S)-1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]piperidin-1-ium-4-carboxamide
CID 7383765
1-[(1S)-1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]piperidine-4-carboxamide
CID 857870
1-[1-(1-cyclopentyltetrazol-5-yl)propyl]piperidine-4-carboxamide
CID 3208671
1-[(1-cyclohexyltetrazol-5-yl)-phenylmethyl]piperidine-4-carboxamide
CID 3208573
1-[(1R)-1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]piperidine
CID 861355
1-[(1R)-1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]azepane
CID 861340
1-[(R)-(1-cyclohexyltetrazol-5-yl)-(2-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 1443142
1-[(R)-(1-cyclohexyltetrazol-5-yl)-phenylmethyl]-4-methylpiperidin-1-ium
CID 7382839
1-[(S)-(1-cyclohexyltetrazol-5-yl)-phenylmethyl]-4-methylpiperidin-1-ium
CID 7382838
1-[(S)-(1-cyclohexyltetrazol-5-yl)-(2,5-dimethoxyphenyl)methyl]piperidine-4-carboxamide
CID 1443193
1-(1-cyclopentyltetrazol-5-yl)-N-methylethanamine
CID 103085419
1-[(R)-(1-cyclopentyltetrazol-5-yl)-phenylmethyl]-4-methylpiperidin-1-ium
CID 7382841

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]piperidin-1-ium-4-carboxamide?
The IUPAC name of 1-[(1R)-1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]piperidin-1-ium-4-carboxamide (CID 7383600) is 1-[(1R)-1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]piperidin-1-ium-4-carboxamide.
What is the SMILES notation for 1-[(1R)-1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]piperidin-1-ium-4-carboxamide?
The canonical SMILES for 1-[(1R)-1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]piperidin-1-ium-4-carboxamide is CC(C)[C@H](c1nnnn1C1CCCCC1)[NH+]1CCC(C(N)=O)CC1.
What is the InChIKey of 1-[(1R)-1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]piperidin-1-ium-4-carboxamide?
The InChIKey is HGZVXHHCZFPCQI-OAHLLOKOSA-O. The full InChI is InChI=1S/C17H30N6O/c1-12(2)15(22-10-8-13(9-11-22)16(18)24)17-19-20-21-23(17)14-6-4-3-5-7-14/h12-15H,3-11H2,1-2H3,(H2,18,24)/p+1/t15-/m1/s1.
What are the key properties of 1-[(1R)-1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]piperidin-1-ium-4-carboxamide?
1-[(1R)-1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]piperidin-1-ium-4-carboxamide has a molecular weight of 335.48 g/mol, XLogP of 0.66, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]piperidin-1-ium-4-carboxamide is sourced from PubChem (CID 7383600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).