3-cyclopropyl-1-[3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]propan-1-one

C19H31N5O2 — CID 70774416

IUPAC3-cyclopropyl-1-[3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]propan-1-one
SMILESCn1c(CN2CCOCC2)nnc1C1CCCN(C(=O)CCC2CC2)C1
InChIInChI=1S/C19H31N5O2/c1-22-17(14-23-9-11-26-12-10-23)20-21-19(22)16-3-2-8-24(13-16)18(25)7-6-15-4-5-15/h15-16H,2-14H2,1H3
InChIKeyFFVJJPDKPUKTRL-UHFFFAOYSA-N
MW361.49 g/mol
LogP1.54
Rot. Bonds6

About 3-cyclopropyl-1-[3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]propan-1-one

3-cyclopropyl-1-[3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]propan-1-one (PubChem CID 70774416) has the molecular formula C19H31N5O2 and a molecular weight of 361.49 g/mol. Its IUPAC name is 3-cyclopropyl-1-[3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-cyclopropyl-1-[3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]propan-1-one
PubChem CID70774416
Molecular FormulaC19H31N5O2
Molecular Weight361.49 g/mol
Exact Mass361.25
IUPAC Name3-cyclopropyl-1-[3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]propan-1-one
SMILESCn1c(CN2CCOCC2)nnc1C1CCCN(C(=O)CCC2CC2)C1
InChIInChI=1S/C19H31N5O2/c1-22-17(14-23-9-11-26-12-10-23)20-21-19(22)16-3-2-8-24(13-16)18(25)7-6-15-4-5-15/h15-16H,2-14H2,1H3
InChIKeyFFVJJPDKPUKTRL-UHFFFAOYSA-N
XLogP1.54
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-cyclopropyl-1-[3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-[3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]propan-1-one?
The IUPAC name of 3-cyclopropyl-1-[3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]propan-1-one (CID 70774416) is 3-cyclopropyl-1-[3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-cyclopropyl-1-[3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-cyclopropyl-1-[3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]propan-1-one is Cn1c(CN2CCOCC2)nnc1C1CCCN(C(=O)CCC2CC2)C1.
What is the InChIKey of 3-cyclopropyl-1-[3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]propan-1-one?
The InChIKey is FFVJJPDKPUKTRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O2/c1-22-17(14-23-9-11-26-12-10-23)20-21-19(22)16-3-2-8-24(13-16)18(25)7-6-15-4-5-15/h15-16H,2-14H2,1H3.
What are the key properties of 3-cyclopropyl-1-[3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]propan-1-one?
3-cyclopropyl-1-[3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]propan-1-one has a molecular weight of 361.49 g/mol, XLogP of 1.54, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-[3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 70774416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).