[3-(methylamino)piperidin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone

C14H18N6O — CID 119490146

IUPAC[3-(methylamino)piperidin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone
SMILESCNC1CCCN(C(=O)c2cccc(-n3cnnn3)c2)C1
InChIInChI=1S/C14H18N6O/c1-15-12-5-3-7-19(9-12)14(21)11-4-2-6-13(8-11)20-10-16-17-18-20/h2,4,6,8,10,12,15H,3,5,7,9H2,1H3
InChIKeyXBPKDRGAYUTGIT-UHFFFAOYSA-N
MW286.34 g/mol
LogP0.49
Rot. Bonds3

About [3-(methylamino)piperidin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone

[3-(methylamino)piperidin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone (PubChem CID 119490146) has the molecular formula C14H18N6O and a molecular weight of 286.34 g/mol. Its IUPAC name is [3-(methylamino)piperidin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone.

Molecular Properties

Compound Name[3-(methylamino)piperidin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone
PubChem CID119490146
Molecular FormulaC14H18N6O
Molecular Weight286.34 g/mol
Exact Mass286.15
IUPAC Name[3-(methylamino)piperidin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone
SMILESCNC1CCCN(C(=O)c2cccc(-n3cnnn3)c2)C1
InChIInChI=1S/C14H18N6O/c1-15-12-5-3-7-19(9-12)14(21)11-4-2-6-13(8-11)20-10-16-17-18-20/h2,4,6,8,10,12,15H,3,5,7,9H2,1H3
InChIKeyXBPKDRGAYUTGIT-UHFFFAOYSA-N
XLogP0.49
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3-hydroxypiperidin-1-yl)-[3-(tetrazol-1-yl)phenyl]methanone
CID 110881986
[(3R)-3-(methylamino)piperidin-1-yl]-[3-(1,2,4-triazol-1-yl)phenyl]methanone
CID 124587828
(3S)-1-[3-(tetrazol-1-yl)benzoyl]piperidine-3-carboxylic acid
CID 119113704
[(3S)-3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone
CID 52523347
[(3R)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone
CID 95282434
[(2R)-2-methylmorpholin-4-yl]-[3-(tetrazol-1-yl)phenyl]methanone
CID 94017586
[(3R)-3-methylpiperazin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone
CID 166233275
[(3S)-3-(methylamino)piperidin-1-yl]-(3-methylphenyl)methanone
CID 94475796
(3-bromophenyl)-[(3R)-3-(methylamino)piperidin-1-yl]methanone
CID 94475878
(4-cyclopentylpiperazin-1-yl)-[3-(tetrazol-1-yl)phenyl]methanone
CID 128927605
N-[(3R)-1-ethylpiperidin-3-yl]-3-(tetrazol-1-yl)benzamide
CID 95296179
N,N-dimethyl-3-[3-(methylamino)piperidine-1-carbonyl]benzamide
CID 119493833

Frequently Asked Questions

What is the IUPAC name of [3-(methylamino)piperidin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone?
The IUPAC name of [3-(methylamino)piperidin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone (CID 119490146) is [3-(methylamino)piperidin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone.
What is the SMILES notation for [3-(methylamino)piperidin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone?
The canonical SMILES for [3-(methylamino)piperidin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone is CNC1CCCN(C(=O)c2cccc(-n3cnnn3)c2)C1.
What is the InChIKey of [3-(methylamino)piperidin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone?
The InChIKey is XBPKDRGAYUTGIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O/c1-15-12-5-3-7-19(9-12)14(21)11-4-2-6-13(8-11)20-10-16-17-18-20/h2,4,6,8,10,12,15H,3,5,7,9H2,1H3.
What are the key properties of [3-(methylamino)piperidin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone?
[3-(methylamino)piperidin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone has a molecular weight of 286.34 g/mol, XLogP of 0.49, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methylamino)piperidin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone is sourced from PubChem (CID 119490146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).