1-[(R)-(1-cyclohexyltetrazol-5-yl)-(2-methoxyphenyl)methyl]piperidine-4-carboxamide

C21H30N6O2 — CID 1443142

IUPAC1-[(R)-(1-cyclohexyltetrazol-5-yl)-(2-methoxyphenyl)methyl]piperidine-4-carboxamide
SMILESCOc1ccccc1[C@H](c1nnnn1C1CCCCC1)N1CCC(C(N)=O)CC1
InChIInChI=1S/C21H30N6O2/c1-29-18-10-6-5-9-17(18)19(26-13-11-15(12-14-26)20(22)28)21-23-24-25-27(21)16-7-3-2-4-8-16/h5-6,9-10,15-16,19H,2-4,7-8,11-14H2,1H3,(H2,22,28)/t19-/m1/s1
InChIKeyHSVAQQOQCGAFOF-LJQANCHMSA-N
MW398.51 g/mol
LogP2.47
Rot. Bonds6

About 1-[(R)-(1-cyclohexyltetrazol-5-yl)-(2-methoxyphenyl)methyl]piperidine-4-carboxamide

1-[(R)-(1-cyclohexyltetrazol-5-yl)-(2-methoxyphenyl)methyl]piperidine-4-carboxamide (PubChem CID 1443142) has the molecular formula C21H30N6O2 and a molecular weight of 398.51 g/mol. Its IUPAC name is 1-[(R)-(1-cyclohexyltetrazol-5-yl)-(2-methoxyphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(R)-(1-cyclohexyltetrazol-5-yl)-(2-methoxyphenyl)methyl]piperidine-4-carboxamide
PubChem CID1443142
Molecular FormulaC21H30N6O2
Molecular Weight398.51 g/mol
Exact Mass398.24
IUPAC Name1-[(R)-(1-cyclohexyltetrazol-5-yl)-(2-methoxyphenyl)methyl]piperidine-4-carboxamide
SMILESCOc1ccccc1[C@H](c1nnnn1C1CCCCC1)N1CCC(C(N)=O)CC1
InChIInChI=1S/C21H30N6O2/c1-29-18-10-6-5-9-17(18)19(26-13-11-15(12-14-26)20(22)28)21-23-24-25-27(21)16-7-3-2-4-8-16/h5-6,9-10,15-16,19H,2-4,7-8,11-14H2,1H3,(H2,22,28)/t19-/m1/s1
InChIKeyHSVAQQOQCGAFOF-LJQANCHMSA-N
XLogP2.47
TPSA99.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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-[(S)-(1-cyclohexyltetrazol-5-yl)-(2,5-dimethoxyphenyl)methyl]piperidine-4-carboxamide
CID 1443193
1-cyclohexyl-4-[(S)-(1-cyclopentyltetrazol-5-yl)-(2-methoxyphenyl)methyl]piperazine
CID 1443548
1-[(1-cyclohexyltetrazol-5-yl)-phenylmethyl]piperidine-4-carboxamide
CID 3208573
1-[(1-cyclohexyltetrazol-5-yl)-(2-methoxyphenyl)methyl]-4-ethylpiperazine;hydrochloride
CID 6603625
1-[(S)-(1-cyclopentyltetrazol-5-yl)-(2-methoxyphenyl)methyl]-4-phenylpiperazine
CID 1443560
1-benzyl-4-[(R)-(1-cyclopentyltetrazol-5-yl)-(2-methoxyphenyl)methyl]piperazine
CID 51625541
1-[(1-cyclohexyltetrazol-5-yl)-(2,3-dimethoxyphenyl)methyl]-4-phenylpiperazine
CID 3208651
1-[(S)-(2-methoxyphenyl)-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]piperidine-4-carboxamide
CID 1445891
1-[(1S)-1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]piperidine-4-carboxamide
CID 857870
1-[(1-cyclohexyltetrazol-5-yl)-(2,4-dimethoxyphenyl)methyl]-4-methylpiperidine
CID 3201608

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-(1-cyclohexyltetrazol-5-yl)-(2-methoxyphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(R)-(1-cyclohexyltetrazol-5-yl)-(2-methoxyphenyl)methyl]piperidine-4-carboxamide (CID 1443142) is 1-[(R)-(1-cyclohexyltetrazol-5-yl)-(2-methoxyphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(R)-(1-cyclohexyltetrazol-5-yl)-(2-methoxyphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(R)-(1-cyclohexyltetrazol-5-yl)-(2-methoxyphenyl)methyl]piperidine-4-carboxamide is COc1ccccc1[C@H](c1nnnn1C1CCCCC1)N1CCC(C(N)=O)CC1.
What is the InChIKey of 1-[(R)-(1-cyclohexyltetrazol-5-yl)-(2-methoxyphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is HSVAQQOQCGAFOF-LJQANCHMSA-N. The full InChI is InChI=1S/C21H30N6O2/c1-29-18-10-6-5-9-17(18)19(26-13-11-15(12-14-26)20(22)28)21-23-24-25-27(21)16-7-3-2-4-8-16/h5-6,9-10,15-16,19H,2-4,7-8,11-14H2,1H3,(H2,22,28)/t19-/m1/s1.
What are the key properties of 1-[(R)-(1-cyclohexyltetrazol-5-yl)-(2-methoxyphenyl)methyl]piperidine-4-carboxamide?
1-[(R)-(1-cyclohexyltetrazol-5-yl)-(2-methoxyphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 398.51 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-(1-cyclohexyltetrazol-5-yl)-(2-methoxyphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 1443142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).