[(3R)-3-(methylamino)piperidin-1-yl]-[3-(1,2,4-triazol-1-yl)phenyl]methanone

C15H19N5O — CID 124587828

IUPAC[(3R)-3-(methylamino)piperidin-1-yl]-[3-(1,2,4-triazol-1-yl)phenyl]methanone
SMILESCN[C@@H]1CCCN(C(=O)c2cccc(-n3cncn3)c2)C1
InChIInChI=1S/C15H19N5O/c1-16-13-5-3-7-19(9-13)15(21)12-4-2-6-14(8-12)20-11-17-10-18-20/h2,4,6,8,10-11,13,16H,3,5,7,9H2,1H3/t13-/m1/s1
InChIKeyQJYDPJRWYICFFD-CYBMUJFWSA-N
MW285.35 g/mol
LogP1.09
Rot. Bonds3

About [(3R)-3-(methylamino)piperidin-1-yl]-[3-(1,2,4-triazol-1-yl)phenyl]methanone

[(3R)-3-(methylamino)piperidin-1-yl]-[3-(1,2,4-triazol-1-yl)phenyl]methanone (PubChem CID 124587828) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is [(3R)-3-(methylamino)piperidin-1-yl]-[3-(1,2,4-triazol-1-yl)phenyl]methanone.

Molecular Properties

Compound Name[(3R)-3-(methylamino)piperidin-1-yl]-[3-(1,2,4-triazol-1-yl)phenyl]methanone
PubChem CID124587828
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name[(3R)-3-(methylamino)piperidin-1-yl]-[3-(1,2,4-triazol-1-yl)phenyl]methanone
SMILESCN[C@@H]1CCCN(C(=O)c2cccc(-n3cncn3)c2)C1
InChIInChI=1S/C15H19N5O/c1-16-13-5-3-7-19(9-13)15(21)12-4-2-6-14(8-12)20-11-17-10-18-20/h2,4,6,8,10-11,13,16H,3,5,7,9H2,1H3/t13-/m1/s1
InChIKeyQJYDPJRWYICFFD-CYBMUJFWSA-N
XLogP1.09
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(methylamino)piperidin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone
CID 119490146
N-(2-aminoethyl)-1-[3-(1,2,4-triazol-1-yl)benzoyl]piperidine-3-carboxamide
CID 119482001
[3-(methylamino)piperidin-1-yl]-[3-nitro-4-(1,2,4-triazol-1-yl)phenyl]methanone
CID 119487633
[(3S)-3-(methylamino)piperidin-1-yl]-(3-methylphenyl)methanone
CID 94475796
[3-(methylamino)piperidin-1-yl]-[3-nitro-4-(1,2,4-triazol-1-yl)phenyl]methanone;hydrochloride
CID 119487632
(3-bromophenyl)-[(3R)-3-(methylamino)piperidin-1-yl]methanone
CID 94475878
[(3S,5S)-3,5-dimethylpiperazin-1-yl]-[3-(1,2,4-triazol-1-yl)phenyl]methanone
CID 124590395
N,N-dimethyl-3-[3-(methylamino)piperidine-1-carbonyl]benzamide
CID 119493833
1,4-diazepan-1-yl-[3-(1,2,4-triazol-1-yl)phenyl]methanone;dihydrochloride
CID 119418188
[(3S)-3-(methylamino)piperidin-1-yl]-(3-pyridin-4-yloxyphenyl)methanone
CID 124574705
ethane;3-(1,2,4-triazol-1-yl)benzoic acid
CID 168912092
[3-[(dimethylamino)methyl]phenyl]-[(3S)-3-(methylamino)piperidin-1-yl]methanone
CID 124575046

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(methylamino)piperidin-1-yl]-[3-(1,2,4-triazol-1-yl)phenyl]methanone?
The IUPAC name of [(3R)-3-(methylamino)piperidin-1-yl]-[3-(1,2,4-triazol-1-yl)phenyl]methanone (CID 124587828) is [(3R)-3-(methylamino)piperidin-1-yl]-[3-(1,2,4-triazol-1-yl)phenyl]methanone.
What is the SMILES notation for [(3R)-3-(methylamino)piperidin-1-yl]-[3-(1,2,4-triazol-1-yl)phenyl]methanone?
The canonical SMILES for [(3R)-3-(methylamino)piperidin-1-yl]-[3-(1,2,4-triazol-1-yl)phenyl]methanone is CN[C@@H]1CCCN(C(=O)c2cccc(-n3cncn3)c2)C1.
What is the InChIKey of [(3R)-3-(methylamino)piperidin-1-yl]-[3-(1,2,4-triazol-1-yl)phenyl]methanone?
The InChIKey is QJYDPJRWYICFFD-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H19N5O/c1-16-13-5-3-7-19(9-13)15(21)12-4-2-6-14(8-12)20-11-17-10-18-20/h2,4,6,8,10-11,13,16H,3,5,7,9H2,1H3/t13-/m1/s1.
What are the key properties of [(3R)-3-(methylamino)piperidin-1-yl]-[3-(1,2,4-triazol-1-yl)phenyl]methanone?
[(3R)-3-(methylamino)piperidin-1-yl]-[3-(1,2,4-triazol-1-yl)phenyl]methanone has a molecular weight of 285.35 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(methylamino)piperidin-1-yl]-[3-(1,2,4-triazol-1-yl)phenyl]methanone is sourced from PubChem (CID 124587828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).