N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methyl-3-(1,2,4-triazol-1-yl)propanamide

C20H28FN5O — CID 25374384

IUPACN-[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methyl-3-(1,2,4-triazol-1-yl)propanamide
SMILESCN(CC1CCN(CCc2cccc(F)c2)CC1)C(=O)CCn1cncn1
InChIInChI=1S/C20H28FN5O/c1-24(20(27)8-12-26-16-22-15-23-26)14-18-6-10-25(11-7-18)9-5-17-3-2-4-19(21)13-17/h2-4,13,15-16,18H,5-12,14H2,1H3
InChIKeyMPNPPVITODIPPA-UHFFFAOYSA-N
MW373.48 g/mol
LogP2.22
Rot. Bonds8

About N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methyl-3-(1,2,4-triazol-1-yl)propanamide

N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methyl-3-(1,2,4-triazol-1-yl)propanamide (PubChem CID 25374384) has the molecular formula C20H28FN5O and a molecular weight of 373.48 g/mol. Its IUPAC name is N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methyl-3-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methyl-3-(1,2,4-triazol-1-yl)propanamide
PubChem CID25374384
Molecular FormulaC20H28FN5O
Molecular Weight373.48 g/mol
Exact Mass373.23
IUPAC NameN-[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methyl-3-(1,2,4-triazol-1-yl)propanamide
SMILESCN(CC1CCN(CCc2cccc(F)c2)CC1)C(=O)CCn1cncn1
InChIInChI=1S/C20H28FN5O/c1-24(20(27)8-12-26-16-22-15-23-26)14-18-6-10-25(11-7-18)9-5-17-3-2-4-19(21)13-17/h2-4,13,15-16,18H,5-12,14H2,1H3
InChIKeyMPNPPVITODIPPA-UHFFFAOYSA-N
XLogP2.22
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methyl-3-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methyl-3-(1,2,4-triazol-1-yl)propanamide (CID 25374384) is N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methyl-3-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methyl-3-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methyl-3-(1,2,4-triazol-1-yl)propanamide is CN(CC1CCN(CCc2cccc(F)c2)CC1)C(=O)CCn1cncn1.
What is the InChIKey of N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methyl-3-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is MPNPPVITODIPPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28FN5O/c1-24(20(27)8-12-26-16-22-15-23-26)14-18-6-10-25(11-7-18)9-5-17-3-2-4-19(21)13-17/h2-4,13,15-16,18H,5-12,14H2,1H3.
What are the key properties of N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methyl-3-(1,2,4-triazol-1-yl)propanamide?
N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methyl-3-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 373.48 g/mol, XLogP of 2.22, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methyl-3-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 25374384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).