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

C21H30FN5O — CID 45191583

IUPACN-[[1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-4-(1,2,4-triazol-1-yl)butanamide
SMILESCN(CC1CCCN(CCc2ccc(F)cc2)C1)C(=O)CCCn1cncn1
InChIInChI=1S/C21H30FN5O/c1-25(21(28)5-3-12-27-17-23-16-24-27)14-19-4-2-11-26(15-19)13-10-18-6-8-20(22)9-7-18/h6-9,16-17,19H,2-5,10-15H2,1H3
InChIKeyKSPZQVFHSLPKIR-UHFFFAOYSA-N
MW387.50 g/mol
LogP2.61
Rot. Bonds9

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

N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-4-(1,2,4-triazol-1-yl)butanamide (PubChem CID 45191583) has the molecular formula C21H30FN5O and a molecular weight of 387.50 g/mol. Its IUPAC name is N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-4-(1,2,4-triazol-1-yl)butanamide.

Molecular Properties

Compound NameN-[[1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-4-(1,2,4-triazol-1-yl)butanamide
PubChem CID45191583
Molecular FormulaC21H30FN5O
Molecular Weight387.50 g/mol
Exact Mass387.24
IUPAC NameN-[[1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-4-(1,2,4-triazol-1-yl)butanamide
SMILESCN(CC1CCCN(CCc2ccc(F)cc2)C1)C(=O)CCCn1cncn1
InChIInChI=1S/C21H30FN5O/c1-25(21(28)5-3-12-27-17-23-16-24-27)14-19-4-2-11-26(15-19)13-10-18-6-8-20(22)9-7-18/h6-9,16-17,19H,2-5,10-15H2,1H3
InChIKeyKSPZQVFHSLPKIR-UHFFFAOYSA-N
XLogP2.61
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.50
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-4-(1,2,4-triazol-1-yl)butanamide with MolForge

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

Launch Full Analysis

Related Compounds

N'-[[(3R)-1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N,N,N'-trimethylbutanediamide
CID 42404091
N'-[[1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N'-methylbutanediamide
CID 23723218
3-(2-fluorophenyl)-N-[[(3S)-1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-methylpropanamide
CID 42402093
(3R)-3-[2-(4-fluorophenyl)ethyl]-1-[2-(1,2,4-triazol-1-yl)ethyl]piperidine
CID 95715235
3-[2-(4-fluorophenyl)ethyl]-1-[2-(1,2,4-triazol-1-yl)ethyl]piperidine
CID 56892042
N-[[(3S)-1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-2-(2-methoxyphenyl)-N-methylacetamide
CID 42212910
N-[[1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-4-fluoro-N-methylbenzamide
CID 45179371
1-[[(3R)-1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-1-methyl-3-propylurea
CID 25448302
N-[[(3S)-1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-methylcyclobutanamine
CID 26392696
methyl 2-[[(3S)-1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl-methylcarbamoyl]benzoate
CID 25369950
N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylacetamide
CID 45175404
N-[[(3R)-1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N,2-dimethyl-6-oxo-1H-pyridine-4-carboxamide
CID 97284932

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-4-(1,2,4-triazol-1-yl)butanamide?
The IUPAC name of N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-4-(1,2,4-triazol-1-yl)butanamide (CID 45191583) is N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-4-(1,2,4-triazol-1-yl)butanamide.
What is the SMILES notation for N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-4-(1,2,4-triazol-1-yl)butanamide?
The canonical SMILES for N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-4-(1,2,4-triazol-1-yl)butanamide is CN(CC1CCCN(CCc2ccc(F)cc2)C1)C(=O)CCCn1cncn1.
What is the InChIKey of N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-4-(1,2,4-triazol-1-yl)butanamide?
The InChIKey is KSPZQVFHSLPKIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30FN5O/c1-25(21(28)5-3-12-27-17-23-16-24-27)14-19-4-2-11-26(15-19)13-10-18-6-8-20(22)9-7-18/h6-9,16-17,19H,2-5,10-15H2,1H3.
What are the key properties of N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-4-(1,2,4-triazol-1-yl)butanamide?
N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-4-(1,2,4-triazol-1-yl)butanamide has a molecular weight of 387.50 g/mol, XLogP of 2.61, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-4-(1,2,4-triazol-1-yl)butanamide is sourced from PubChem (CID 45191583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).