1-[(1S)-1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]piperidine-4-carboxamide

C17H30N6O — CID 857870

IUPAC1-[(1S)-1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]piperidine-4-carboxamide
SMILESCC(C)[C@@H](c1nnnn1C1CCCCC1)N1CCC(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)/t15-/m0/s1
InChIKeyHGZVXHHCZFPCQI-HNNXBMFYSA-N
MW334.47 g/mol
LogP2.07
Rot. Bonds5

About 1-[(1S)-1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]piperidine-4-carboxamide

1-[(1S)-1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]piperidine-4-carboxamide (PubChem CID 857870) has the molecular formula C17H30N6O and a molecular weight of 334.47 g/mol. Its IUPAC name is 1-[(1S)-1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(1S)-1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]piperidine-4-carboxamide
PubChem CID857870
Molecular FormulaC17H30N6O
Molecular Weight334.47 g/mol
Exact Mass334.25
IUPAC Name1-[(1S)-1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]piperidine-4-carboxamide
SMILESCC(C)[C@@H](c1nnnn1C1CCCCC1)N1CCC(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)/t15-/m0/s1
InChIKeyHGZVXHHCZFPCQI-HNNXBMFYSA-N
XLogP2.07
TPSA89.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.47
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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-[1-(1-cyclopentyltetrazol-5-yl)propyl]piperidine-4-carboxamide
CID 3208671
1-[(1R)-1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]piperidin-1-ium-4-carboxamide
CID 7383600
1-[(1-cyclohexyltetrazol-5-yl)-phenylmethyl]piperidine-4-carboxamide
CID 3208573
1-[(1S)-1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]piperidin-1-ium-4-carboxamide
CID 7383765
1-[(R)-(1-cyclohexyltetrazol-5-yl)-(2-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 1443142
1-[(S)-(1-cyclohexyltetrazol-5-yl)-(2,5-dimethoxyphenyl)methyl]piperidine-4-carboxamide
CID 1443193
1-[(4-chlorophenyl)methyl]-4-[(1S)-1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]piperazine
CID 1443291
1-cyclohexyl-4-[2-methyl-1-(1-propan-2-yltetrazol-5-yl)propyl]piperazine
CID 3209402
4-[(S)-azepan-1-yl-(1-cyclopentyltetrazol-5-yl)methyl]phenol
CID 861193
1-(1-cyclopentyltetrazol-5-yl)-N-methylethanamine
CID 103085419

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(1S)-1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]piperidine-4-carboxamide (CID 857870) is 1-[(1S)-1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(1S)-1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(1S)-1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]piperidine-4-carboxamide is CC(C)[C@@H](c1nnnn1C1CCCCC1)N1CCC(C(N)=O)CC1.
What is the InChIKey of 1-[(1S)-1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]piperidine-4-carboxamide?
The InChIKey is HGZVXHHCZFPCQI-HNNXBMFYSA-N. 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)/t15-/m0/s1.
What are the key properties of 1-[(1S)-1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]piperidine-4-carboxamide?
1-[(1S)-1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]piperidine-4-carboxamide has a molecular weight of 334.47 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]piperidine-4-carboxamide is sourced from PubChem (CID 857870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).