1-[2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-3-methoxypropan-1-one

C15H24N4O2 — CID 87052168

IUPAC1-[2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-3-methoxypropan-1-one
SMILESCOCCC(=O)N1CCCCC1c1nncn1CC1CC1
InChIInChI=1S/C15H24N4O2/c1-21-9-7-14(20)19-8-3-2-4-13(19)15-17-16-11-18(15)10-12-5-6-12/h11-13H,2-10H2,1H3
InChIKeyKPMMMCOTUAJZRY-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.78
Rot. Bonds6

About 1-[2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-3-methoxypropan-1-one

1-[2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-3-methoxypropan-1-one (PubChem CID 87052168) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 1-[2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-3-methoxypropan-1-one.

Molecular Properties

Compound Name1-[2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-3-methoxypropan-1-one
PubChem CID87052168
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name1-[2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-3-methoxypropan-1-one
SMILESCOCCC(=O)N1CCCCC1c1nncn1CC1CC1
InChIInChI=1S/C15H24N4O2/c1-21-9-7-14(20)19-8-3-2-4-13(19)15-17-16-11-18(15)10-12-5-6-12/h11-13H,2-10H2,1H3
InChIKeyKPMMMCOTUAJZRY-UHFFFAOYSA-N
XLogP1.78
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(3,5-Dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-3-(2-methylpropoxy)propan-1-one
CID 72142762
1-[3-(3,5-Dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-3-propan-2-yloxypropan-1-one
CID 72142781
Cyclopropyl-[4-[(4-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methanone
CID 91919511
1-[4-({2-[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]piperidino}carbonyl)piperidino]-1-ethanone
CID 87052169
1-{2-[4-(Cyclopropylmethyl)-4H-1,2,4-triazol-3-YL]piperidino}-2-methoxy-1-ethanone
CID 87052179
3-[(2S)-2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pyrrolidin-1-yl]-1-morpholin-4-ylpropan-1-one
CID 95773986
1-Cyclobutanecarbonyl-4-[3-(2-methoxyethyl)-4H-1,2,4-triazol-4-YL]piperidine
CID 91914693
1-[4-(4-Cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 126750393
1-[4-(4-Cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]propan-1-one
CID 126758367
1-[4-(4-Cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone
CID 126758369
1-[4-(4-Cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-methylpropan-1-one;ethane
CID 145286990
N-methoxy-N-[(3R,6S)-6-(methyliminomethyl)-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]acetamide
CID 156834788

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-3-methoxypropan-1-one?
The IUPAC name of 1-[2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-3-methoxypropan-1-one (CID 87052168) is 1-[2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-3-methoxypropan-1-one.
What is the SMILES notation for 1-[2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-3-methoxypropan-1-one?
The canonical SMILES for 1-[2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-3-methoxypropan-1-one is COCCC(=O)N1CCCCC1c1nncn1CC1CC1.
What is the InChIKey of 1-[2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-3-methoxypropan-1-one?
The InChIKey is KPMMMCOTUAJZRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-21-9-7-14(20)19-8-3-2-4-13(19)15-17-16-11-18(15)10-12-5-6-12/h11-13H,2-10H2,1H3.
What are the key properties of 1-[2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-3-methoxypropan-1-one?
1-[2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-3-methoxypropan-1-one has a molecular weight of 292.38 g/mol, XLogP of 1.78, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-3-methoxypropan-1-one is sourced from PubChem (CID 87052168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).