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

C14H22N4O2 — CID 87052179

IUPAC1-[2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCCCC1c1nncn1CC1CC1
InChIInChI=1S/C14H22N4O2/c1-20-9-13(19)18-7-3-2-4-12(18)14-16-15-10-17(14)8-11-5-6-11/h10-12H,2-9H2,1H3
InChIKeyYPYCWRQARGUWHO-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.39
Rot. Bonds5

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

1-[2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-2-methoxyethanone (PubChem CID 87052179) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 1-[2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-2-methoxyethanone.

Molecular Properties

Compound Name1-[2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-2-methoxyethanone
PubChem CID87052179
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name1-[2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCCCC1c1nncn1CC1CC1
InChIInChI=1S/C14H22N4O2/c1-20-9-13(19)18-7-3-2-4-12(18)14-16-15-10-17(14)8-11-5-6-11/h10-12H,2-9H2,1H3
InChIKeyYPYCWRQARGUWHO-UHFFFAOYSA-N
XLogP1.39
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-2-methoxyethanone?
The IUPAC name of 1-[2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-2-methoxyethanone (CID 87052179) is 1-[2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-2-methoxyethanone.
What is the SMILES notation for 1-[2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-2-methoxyethanone?
The canonical SMILES for 1-[2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-2-methoxyethanone is COCC(=O)N1CCCCC1c1nncn1CC1CC1.
What is the InChIKey of 1-[2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-2-methoxyethanone?
The InChIKey is YPYCWRQARGUWHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-20-9-13(19)18-7-3-2-4-12(18)14-16-15-10-17(14)8-11-5-6-11/h10-12H,2-9H2,1H3.
What are the key properties of 1-[2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-2-methoxyethanone?
1-[2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-2-methoxyethanone has a molecular weight of 278.36 g/mol, XLogP of 1.39, 5 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]-2-methoxyethanone is sourced from PubChem (CID 87052179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).