1-[5-cyclopropyl-4-(oxan-2-ylmethyl)-1,2,4-triazol-3-yl]-3-methoxy-3-methylpiperidine

C18H30N4O2 — CID 126798115

IUPAC1-[5-cyclopropyl-4-(oxan-2-ylmethyl)-1,2,4-triazol-3-yl]-3-methoxy-3-methylpiperidine
SMILESCOC1(C)CCCN(c2nnc(C3CC3)n2CC2CCCCO2)C1
InChIInChI=1S/C18H30N4O2/c1-18(23-2)9-5-10-21(13-18)17-20-19-16(14-7-8-14)22(17)12-15-6-3-4-11-24-15/h14-15H,3-13H2,1-2H3
InChIKeyPNFATHHRYLOSJR-UHFFFAOYSA-N
MW334.46 g/mol
LogP2.73
Rot. Bonds5

About 1-[5-cyclopropyl-4-(oxan-2-ylmethyl)-1,2,4-triazol-3-yl]-3-methoxy-3-methylpiperidine

1-[5-cyclopropyl-4-(oxan-2-ylmethyl)-1,2,4-triazol-3-yl]-3-methoxy-3-methylpiperidine (PubChem CID 126798115) has the molecular formula C18H30N4O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is 1-[5-cyclopropyl-4-(oxan-2-ylmethyl)-1,2,4-triazol-3-yl]-3-methoxy-3-methylpiperidine.

Molecular Properties

Compound Name1-[5-cyclopropyl-4-(oxan-2-ylmethyl)-1,2,4-triazol-3-yl]-3-methoxy-3-methylpiperidine
PubChem CID126798115
Molecular FormulaC18H30N4O2
Molecular Weight334.46 g/mol
Exact Mass334.24
IUPAC Name1-[5-cyclopropyl-4-(oxan-2-ylmethyl)-1,2,4-triazol-3-yl]-3-methoxy-3-methylpiperidine
SMILESCOC1(C)CCCN(c2nnc(C3CC3)n2CC2CCCCO2)C1
InChIInChI=1S/C18H30N4O2/c1-18(23-2)9-5-10-21(13-18)17-20-19-16(14-7-8-14)22(17)12-15-6-3-4-11-24-15/h14-15H,3-13H2,1-2H3
InChIKeyPNFATHHRYLOSJR-UHFFFAOYSA-N
XLogP2.73
TPSA52.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[5-cyclopropyl-4-(oxan-2-ylmethyl)-1,2,4-triazol-3-yl]-3-methoxy-3-methylpiperidine?
The IUPAC name of 1-[5-cyclopropyl-4-(oxan-2-ylmethyl)-1,2,4-triazol-3-yl]-3-methoxy-3-methylpiperidine (CID 126798115) is 1-[5-cyclopropyl-4-(oxan-2-ylmethyl)-1,2,4-triazol-3-yl]-3-methoxy-3-methylpiperidine.
What is the SMILES notation for 1-[5-cyclopropyl-4-(oxan-2-ylmethyl)-1,2,4-triazol-3-yl]-3-methoxy-3-methylpiperidine?
The canonical SMILES for 1-[5-cyclopropyl-4-(oxan-2-ylmethyl)-1,2,4-triazol-3-yl]-3-methoxy-3-methylpiperidine is COC1(C)CCCN(c2nnc(C3CC3)n2CC2CCCCO2)C1.
What is the InChIKey of 1-[5-cyclopropyl-4-(oxan-2-ylmethyl)-1,2,4-triazol-3-yl]-3-methoxy-3-methylpiperidine?
The InChIKey is PNFATHHRYLOSJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O2/c1-18(23-2)9-5-10-21(13-18)17-20-19-16(14-7-8-14)22(17)12-15-6-3-4-11-24-15/h14-15H,3-13H2,1-2H3.
What are the key properties of 1-[5-cyclopropyl-4-(oxan-2-ylmethyl)-1,2,4-triazol-3-yl]-3-methoxy-3-methylpiperidine?
1-[5-cyclopropyl-4-(oxan-2-ylmethyl)-1,2,4-triazol-3-yl]-3-methoxy-3-methylpiperidine has a molecular weight of 334.46 g/mol, XLogP of 2.73, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-cyclopropyl-4-(oxan-2-ylmethyl)-1,2,4-triazol-3-yl]-3-methoxy-3-methylpiperidine is sourced from PubChem (CID 126798115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).