1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-[4-(tetrazol-1-yl)anilino]ethanone

C16H22N6O — CID 94816194

IUPAC1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-[4-(tetrazol-1-yl)anilino]ethanone
SMILESC[C@@H]1CCC[C@H](C)N1C(=O)CNc1ccc(-n2cnnn2)cc1
InChIInChI=1S/C16H22N6O/c1-12-4-3-5-13(2)22(12)16(23)10-17-14-6-8-15(9-7-14)21-11-18-19-20-21/h6-9,11-13,17H,3-5,10H2,1-2H3/t12-,13+
InChIKeyOSFPZLFDWZVTES-BETUJISGSA-N
MW314.39 g/mol
LogP1.86
Rot. Bonds4

About 1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-[4-(tetrazol-1-yl)anilino]ethanone

1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-[4-(tetrazol-1-yl)anilino]ethanone (PubChem CID 94816194) has the molecular formula C16H22N6O and a molecular weight of 314.39 g/mol. Its IUPAC name is 1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-[4-(tetrazol-1-yl)anilino]ethanone.

Molecular Properties

Compound Name1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-[4-(tetrazol-1-yl)anilino]ethanone
PubChem CID94816194
Molecular FormulaC16H22N6O
Molecular Weight314.39 g/mol
Exact Mass314.19
IUPAC Name1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-[4-(tetrazol-1-yl)anilino]ethanone
SMILESC[C@@H]1CCC[C@H](C)N1C(=O)CNc1ccc(-n2cnnn2)cc1
InChIInChI=1S/C16H22N6O/c1-12-4-3-5-13(2)22(12)16(23)10-17-14-6-8-15(9-7-14)21-11-18-19-20-21/h6-9,11-13,17H,3-5,10H2,1-2H3/t12-,13+
InChIKeyOSFPZLFDWZVTES-BETUJISGSA-N
XLogP1.86
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-acetylanilino)-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]ethanone
CID 95152526
1-(2-methylmorpholin-4-yl)-2-[4-(tetrazol-1-yl)anilino]ethanone
CID 55477811
2-[4-(1-cyclopropyltetrazol-5-yl)anilino]-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethanone
CID 51934098
2-(cyclopropylamino)-N-[4-(tetrazol-1-yl)phenyl]acetamide
CID 61260899
2-(cyclopropylmethylamino)-N-[4-(tetrazol-1-yl)phenyl]acetamide
CID 61261084
N-(2,3-dihydro-1H-inden-5-yl)-2-[4-(tetrazol-1-yl)anilino]acetamide
CID 167959394
tert-butyl N-[2-[4-(tetrazol-1-yl)anilino]ethyl]carbamate
CID 103818149
N-(2-methylpropyl)-4-(tetrazol-1-yl)aniline
CID 28621711
2-methyl-2-[[4-(tetrazol-1-yl)anilino]methyl]butan-1-ol
CID 81411606
tert-butyl 4-[4-(tetrazol-1-yl)anilino]piperidine-1-carboxylate
CID 18539221
(2R)-N-[4-(tetrazol-1-yl)phenyl]oxolane-2-carboxamide
CID 40986910
N-[2-(aminomethyl)cyclopentyl]-4-(tetrazol-1-yl)benzamide;hydrochloride
CID 119603577

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-[4-(tetrazol-1-yl)anilino]ethanone?
The IUPAC name of 1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-[4-(tetrazol-1-yl)anilino]ethanone (CID 94816194) is 1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-[4-(tetrazol-1-yl)anilino]ethanone.
What is the SMILES notation for 1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-[4-(tetrazol-1-yl)anilino]ethanone?
The canonical SMILES for 1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-[4-(tetrazol-1-yl)anilino]ethanone is C[C@@H]1CCC[C@H](C)N1C(=O)CNc1ccc(-n2cnnn2)cc1.
What is the InChIKey of 1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-[4-(tetrazol-1-yl)anilino]ethanone?
The InChIKey is OSFPZLFDWZVTES-BETUJISGSA-N. The full InChI is InChI=1S/C16H22N6O/c1-12-4-3-5-13(2)22(12)16(23)10-17-14-6-8-15(9-7-14)21-11-18-19-20-21/h6-9,11-13,17H,3-5,10H2,1-2H3/t12-,13+.
What are the key properties of 1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-[4-(tetrazol-1-yl)anilino]ethanone?
1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-[4-(tetrazol-1-yl)anilino]ethanone has a molecular weight of 314.39 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-[4-(tetrazol-1-yl)anilino]ethanone is sourced from PubChem (CID 94816194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).