1-(3-methylpiperidin-1-yl)-3-(1,2,4-triazol-1-yl)propan-1-one

C11H18N4O — CID 42938651

IUPAC1-(3-methylpiperidin-1-yl)-3-(1,2,4-triazol-1-yl)propan-1-one
SMILESCC1CCCN(C(=O)CCn2cncn2)C1
InChIInChI=1S/C11H18N4O/c1-10-3-2-5-14(7-10)11(16)4-6-15-9-12-8-13-15/h8-10H,2-7H2,1H3
InChIKeyPFFIVXNGECSCLM-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.93
Rot. Bonds3

About 1-(3-methylpiperidin-1-yl)-3-(1,2,4-triazol-1-yl)propan-1-one

1-(3-methylpiperidin-1-yl)-3-(1,2,4-triazol-1-yl)propan-1-one (PubChem CID 42938651) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 1-(3-methylpiperidin-1-yl)-3-(1,2,4-triazol-1-yl)propan-1-one.

Molecular Properties

Compound Name1-(3-methylpiperidin-1-yl)-3-(1,2,4-triazol-1-yl)propan-1-one
PubChem CID42938651
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name1-(3-methylpiperidin-1-yl)-3-(1,2,4-triazol-1-yl)propan-1-one
SMILESCC1CCCN(C(=O)CCn2cncn2)C1
InChIInChI=1S/C11H18N4O/c1-10-3-2-5-14(7-10)11(16)4-6-15-9-12-8-13-15/h8-10H,2-7H2,1H3
InChIKeyPFFIVXNGECSCLM-UHFFFAOYSA-N
XLogP0.93
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(methylaminomethyl)piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
CID 61205828
1-[(3S)-3-propoxypiperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
CID 95186708
1-(3-hydroxypyrrolidin-1-yl)-3-(1,2,4-triazol-1-yl)propan-1-one
CID 62916903
3-methyl-N-[3-(1,2,4-triazol-1-yl)propyl]piperidine-1-carboxamide
CID 53498427
1-[(3R)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
CID 95737013
1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
CID 94178820
1-[3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
CID 70772405
1-[(3R)-3-(2-phenylethyl)piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
CID 26394446
1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-(1,2,4-triazol-1-yl)propan-1-one;hydrochloride
CID 119634941
1-[(3R)-3-(4-methoxyanilino)piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
CID 42101300
1-[2-(1-aminoethyl)morpholin-4-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
CID 81484438
1-[(3R)-3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
CID 42593959

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylpiperidin-1-yl)-3-(1,2,4-triazol-1-yl)propan-1-one?
The IUPAC name of 1-(3-methylpiperidin-1-yl)-3-(1,2,4-triazol-1-yl)propan-1-one (CID 42938651) is 1-(3-methylpiperidin-1-yl)-3-(1,2,4-triazol-1-yl)propan-1-one.
What is the SMILES notation for 1-(3-methylpiperidin-1-yl)-3-(1,2,4-triazol-1-yl)propan-1-one?
The canonical SMILES for 1-(3-methylpiperidin-1-yl)-3-(1,2,4-triazol-1-yl)propan-1-one is CC1CCCN(C(=O)CCn2cncn2)C1.
What is the InChIKey of 1-(3-methylpiperidin-1-yl)-3-(1,2,4-triazol-1-yl)propan-1-one?
The InChIKey is PFFIVXNGECSCLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-10-3-2-5-14(7-10)11(16)4-6-15-9-12-8-13-15/h8-10H,2-7H2,1H3.
What are the key properties of 1-(3-methylpiperidin-1-yl)-3-(1,2,4-triazol-1-yl)propan-1-one?
1-(3-methylpiperidin-1-yl)-3-(1,2,4-triazol-1-yl)propan-1-one has a molecular weight of 222.29 g/mol, XLogP of 0.93, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylpiperidin-1-yl)-3-(1,2,4-triazol-1-yl)propan-1-one is sourced from PubChem (CID 42938651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).