piperidin-1-yl-[4-(1,2,4-triazol-1-ylmethyl)phenyl]methanone

C15H18N4O — CID 53001379

IUPACpiperidin-1-yl-[4-(1,2,4-triazol-1-ylmethyl)phenyl]methanone
SMILESO=C(c1ccc(Cn2cncn2)cc1)N1CCCCC1
InChIInChI=1S/C15H18N4O/c20-15(18-8-2-1-3-9-18)14-6-4-13(5-7-14)10-19-12-16-11-17-19/h4-7,11-12H,1-3,8-10H2
InChIKeyHNGGICDARGMEFA-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.95
Rot. Bonds3

About piperidin-1-yl-[4-(1,2,4-triazol-1-ylmethyl)phenyl]methanone

piperidin-1-yl-[4-(1,2,4-triazol-1-ylmethyl)phenyl]methanone (PubChem CID 53001379) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is piperidin-1-yl-[4-(1,2,4-triazol-1-ylmethyl)phenyl]methanone.

Molecular Properties

Compound Namepiperidin-1-yl-[4-(1,2,4-triazol-1-ylmethyl)phenyl]methanone
PubChem CID53001379
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Namepiperidin-1-yl-[4-(1,2,4-triazol-1-ylmethyl)phenyl]methanone
SMILESO=C(c1ccc(Cn2cncn2)cc1)N1CCCCC1
InChIInChI=1S/C15H18N4O/c20-15(18-8-2-1-3-9-18)14-6-4-13(5-7-14)10-19-12-16-11-17-19/h4-7,11-12H,1-3,8-10H2
InChIKeyHNGGICDARGMEFA-UHFFFAOYSA-N
XLogP1.95
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methylpiperidin-1-yl)-[4-(1,2,4-triazol-1-ylmethyl)phenyl]methanone
CID 24615697
[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-[4-(1,2,4-triazol-1-ylmethyl)phenyl]methanone
CID 30938195
N-phenyl-1-[4-(1,2,4-triazol-1-ylmethyl)benzoyl]piperidine-3-carboxamide
CID 24615839
[(2R,6R)-2,6-dimethylmorpholin-4-yl]-[4-(1,2,4-triazol-1-ylmethyl)phenyl]methanone
CID 42031790
N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 32627824
[4-(2,3-dimethylphenyl)piperazin-1-yl]-[4-(1,2,4-triazol-1-ylmethyl)phenyl]methanone
CID 46394814
2-[4-[4-(1,2,4-triazol-1-ylmethyl)benzoyl]piperazin-1-yl]sulfonylbenzonitrile
CID 24679916
[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-[4-(1,2,4-triazol-1-ylmethyl)phenyl]methanone
CID 95329463
(3R)-1-(4-chlorobenzoyl)-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]piperidine-3-carboxamide
CID 51960621
[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]-[4-(1,2,4-triazol-1-ylmethyl)phenyl]methanone
CID 30758817
[4-(azocane-1-carbonyl)phenyl]-(azocan-1-yl)methanone
CID 3317192
(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-[4-(1,2,4-triazol-1-ylmethyl)phenyl]methanone
CID 55971279

Frequently Asked Questions

What is the IUPAC name of piperidin-1-yl-[4-(1,2,4-triazol-1-ylmethyl)phenyl]methanone?
The IUPAC name of piperidin-1-yl-[4-(1,2,4-triazol-1-ylmethyl)phenyl]methanone (CID 53001379) is piperidin-1-yl-[4-(1,2,4-triazol-1-ylmethyl)phenyl]methanone.
What is the SMILES notation for piperidin-1-yl-[4-(1,2,4-triazol-1-ylmethyl)phenyl]methanone?
The canonical SMILES for piperidin-1-yl-[4-(1,2,4-triazol-1-ylmethyl)phenyl]methanone is O=C(c1ccc(Cn2cncn2)cc1)N1CCCCC1.
What is the InChIKey of piperidin-1-yl-[4-(1,2,4-triazol-1-ylmethyl)phenyl]methanone?
The InChIKey is HNGGICDARGMEFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c20-15(18-8-2-1-3-9-18)14-6-4-13(5-7-14)10-19-12-16-11-17-19/h4-7,11-12H,1-3,8-10H2.
What are the key properties of piperidin-1-yl-[4-(1,2,4-triazol-1-ylmethyl)phenyl]methanone?
piperidin-1-yl-[4-(1,2,4-triazol-1-ylmethyl)phenyl]methanone has a molecular weight of 270.34 g/mol, XLogP of 1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-yl-[4-(1,2,4-triazol-1-ylmethyl)phenyl]methanone is sourced from PubChem (CID 53001379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).