1-[(1-cyclohexyltetrazol-5-yl)-phenylmethyl]piperidine-4-carboxamide

C20H28N6O — CID 3208573

IUPAC1-[(1-cyclohexyltetrazol-5-yl)-phenylmethyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(c2ccccc2)c2nnnn2C2CCCCC2)CC1
InChIInChI=1S/C20H28N6O/c21-19(27)16-11-13-25(14-12-16)18(15-7-3-1-4-8-15)20-22-23-24-26(20)17-9-5-2-6-10-17/h1,3-4,7-8,16-18H,2,5-6,9-14H2,(H2,21,27)
InChIKeyYTHKIKDZTDQGLF-UHFFFAOYSA-N
MW368.49 g/mol
LogP2.46
Rot. Bonds5

About 1-[(1-cyclohexyltetrazol-5-yl)-phenylmethyl]piperidine-4-carboxamide

1-[(1-cyclohexyltetrazol-5-yl)-phenylmethyl]piperidine-4-carboxamide (PubChem CID 3208573) has the molecular formula C20H28N6O and a molecular weight of 368.49 g/mol. Its IUPAC name is 1-[(1-cyclohexyltetrazol-5-yl)-phenylmethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(1-cyclohexyltetrazol-5-yl)-phenylmethyl]piperidine-4-carboxamide
PubChem CID3208573
Molecular FormulaC20H28N6O
Molecular Weight368.49 g/mol
Exact Mass368.23
IUPAC Name1-[(1-cyclohexyltetrazol-5-yl)-phenylmethyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(c2ccccc2)c2nnnn2C2CCCCC2)CC1
InChIInChI=1S/C20H28N6O/c21-19(27)16-11-13-25(14-12-16)18(15-7-3-1-4-8-15)20-22-23-24-26(20)17-9-5-2-6-10-17/h1,3-4,7-8,16-18H,2,5-6,9-14H2,(H2,21,27)
InChIKeyYTHKIKDZTDQGLF-UHFFFAOYSA-N
XLogP2.46
TPSA89.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.49
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(R)-(1-cyclohexyltetrazol-5-yl)-(2-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 1443142
1-[(R)-(1-cyclohexyltetrazol-5-yl)-phenylmethyl]-4-methylpiperidine
CID 858112
1-[(1-cyclopentyltetrazol-5-yl)-phenylmethyl]-4-methylpiperidine
CID 3201581
1-[(S)-(1-cyclopentyltetrazol-5-yl)-phenylmethyl]-4-methylpiperazine
CID 858129
1-[(S)-(1-cyclopentyltetrazol-5-yl)-phenylmethyl]-4-phenylpiperazine
CID 1443350
4-[(S)-azepan-1-yl-(1-cyclopentyltetrazol-5-yl)methyl]phenol
CID 861193
1-[(S)-(1-cyclohexyltetrazol-5-yl)-(2,5-dimethoxyphenyl)methyl]piperidine-4-carboxamide
CID 1443193
1-[(1S)-1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]piperidine-4-carboxamide
CID 857870
[4-[(S)-(1-cyclohexyltetrazol-5-yl)-phenylmethyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 1442957
1-[(1-cyclopentyltetrazol-5-yl)-(4-fluorophenyl)methyl]piperidine
CID 3173834
2-[(S)-(1-cyclohexyltetrazol-5-yl)-phenylmethyl]-3,4-dihydro-1H-isoquinoline
CID 1433537
3-[1-[(1-cyclohexyltetrazol-5-yl)-phenylmethyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 51360364

Frequently Asked Questions

What is the IUPAC name of 1-[(1-cyclohexyltetrazol-5-yl)-phenylmethyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(1-cyclohexyltetrazol-5-yl)-phenylmethyl]piperidine-4-carboxamide (CID 3208573) is 1-[(1-cyclohexyltetrazol-5-yl)-phenylmethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(1-cyclohexyltetrazol-5-yl)-phenylmethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(1-cyclohexyltetrazol-5-yl)-phenylmethyl]piperidine-4-carboxamide is NC(=O)C1CCN(C(c2ccccc2)c2nnnn2C2CCCCC2)CC1.
What is the InChIKey of 1-[(1-cyclohexyltetrazol-5-yl)-phenylmethyl]piperidine-4-carboxamide?
The InChIKey is YTHKIKDZTDQGLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O/c21-19(27)16-11-13-25(14-12-16)18(15-7-3-1-4-8-15)20-22-23-24-26(20)17-9-5-2-6-10-17/h1,3-4,7-8,16-18H,2,5-6,9-14H2,(H2,21,27).
What are the key properties of 1-[(1-cyclohexyltetrazol-5-yl)-phenylmethyl]piperidine-4-carboxamide?
1-[(1-cyclohexyltetrazol-5-yl)-phenylmethyl]piperidine-4-carboxamide has a molecular weight of 368.49 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-cyclohexyltetrazol-5-yl)-phenylmethyl]piperidine-4-carboxamide is sourced from PubChem (CID 3208573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).