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

C16H20N4O — CID 24615697

IUPAC(4-methylpiperidin-1-yl)-[4-(1,2,4-triazol-1-ylmethyl)phenyl]methanone
SMILESCC1CCN(C(=O)c2ccc(Cn3cncn3)cc2)CC1
InChIInChI=1S/C16H20N4O/c1-13-6-8-19(9-7-13)16(21)15-4-2-14(3-5-15)10-20-12-17-11-18-20/h2-5,11-13H,6-10H2,1H3
InChIKeySVXKJQRRJNWAOS-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.20
Rot. Bonds3

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

(4-methylpiperidin-1-yl)-[4-(1,2,4-triazol-1-ylmethyl)phenyl]methanone (PubChem CID 24615697) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is (4-methylpiperidin-1-yl)-[4-(1,2,4-triazol-1-ylmethyl)phenyl]methanone.

Molecular Properties

Compound Name(4-methylpiperidin-1-yl)-[4-(1,2,4-triazol-1-ylmethyl)phenyl]methanone
PubChem CID24615697
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name(4-methylpiperidin-1-yl)-[4-(1,2,4-triazol-1-ylmethyl)phenyl]methanone
SMILESCC1CCN(C(=O)c2ccc(Cn3cncn3)cc2)CC1
InChIInChI=1S/C16H20N4O/c1-13-6-8-19(9-7-13)16(21)15-4-2-14(3-5-15)10-20-12-17-11-18-20/h2-5,11-13H,6-10H2,1H3
InChIKeySVXKJQRRJNWAOS-UHFFFAOYSA-N
XLogP2.20
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

piperidin-1-yl-[4-(1,2,4-triazol-1-ylmethyl)phenyl]methanone
CID 53001379
[(2R,6R)-2,6-dimethylmorpholin-4-yl]-[4-(1,2,4-triazol-1-ylmethyl)phenyl]methanone
CID 42031790
[(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
[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
N-[2-(4-methylpiperidin-1-yl)propyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 47082081
[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]-(4-methylpiperidin-1-yl)methanone
CID 126191918
[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-[4-(1,2,4-triazol-1-ylmethyl)phenyl]methanone
CID 95329463
[4-(2,3-dimethylphenyl)piperazin-1-yl]-[4-(1,2,4-triazol-1-ylmethyl)phenyl]methanone
CID 46394814
[4-(chloromethyl)phenyl]-(4-methylazepan-1-yl)methanone
CID 63622830
(4-methylpiperidin-1-yl)-[4-(2-methylpropyl)phenyl]methanone
CID 86977180
(4-methylpiperidin-1-yl)-[4-[(4-phenylpiperazin-1-yl)methyl]phenyl]methanone
CID 1137062
methyl 1-[4-[(4-methylpiperidin-1-yl)methyl]benzoyl]piperidine-4-carboxylate
CID 43908385

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperidin-1-yl)-[4-(1,2,4-triazol-1-ylmethyl)phenyl]methanone?
The IUPAC name of (4-methylpiperidin-1-yl)-[4-(1,2,4-triazol-1-ylmethyl)phenyl]methanone (CID 24615697) is (4-methylpiperidin-1-yl)-[4-(1,2,4-triazol-1-ylmethyl)phenyl]methanone.
What is the SMILES notation for (4-methylpiperidin-1-yl)-[4-(1,2,4-triazol-1-ylmethyl)phenyl]methanone?
The canonical SMILES for (4-methylpiperidin-1-yl)-[4-(1,2,4-triazol-1-ylmethyl)phenyl]methanone is CC1CCN(C(=O)c2ccc(Cn3cncn3)cc2)CC1.
What is the InChIKey of (4-methylpiperidin-1-yl)-[4-(1,2,4-triazol-1-ylmethyl)phenyl]methanone?
The InChIKey is SVXKJQRRJNWAOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-13-6-8-19(9-7-13)16(21)15-4-2-14(3-5-15)10-20-12-17-11-18-20/h2-5,11-13H,6-10H2,1H3.
What are the key properties of (4-methylpiperidin-1-yl)-[4-(1,2,4-triazol-1-ylmethyl)phenyl]methanone?
(4-methylpiperidin-1-yl)-[4-(1,2,4-triazol-1-ylmethyl)phenyl]methanone has a molecular weight of 284.36 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperidin-1-yl)-[4-(1,2,4-triazol-1-ylmethyl)phenyl]methanone is sourced from PubChem (CID 24615697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).