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

C21H32FN3O2 — CID 23723826

IUPACN'-[[1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N,N,N'-trimethylbutanediamide
SMILESCN(C)C(=O)CCC(=O)N(C)CC1CCCN(CCc2ccc(F)cc2)C1
InChIInChI=1S/C21H32FN3O2/c1-23(2)20(26)10-11-21(27)24(3)15-18-5-4-13-25(16-18)14-12-17-6-8-19(22)9-7-17/h6-9,18H,4-5,10-16H2,1-3H3
InChIKeyPRLJBNYWQPEDCG-UHFFFAOYSA-N
MW377.50 g/mol
LogP2.41
Rot. Bonds8

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

N'-[[1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N,N,N'-trimethylbutanediamide (PubChem CID 23723826) has the molecular formula C21H32FN3O2 and a molecular weight of 377.50 g/mol. Its IUPAC name is N'-[[1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N,N,N'-trimethylbutanediamide.

Molecular Properties

Compound NameN'-[[1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N,N,N'-trimethylbutanediamide
PubChem CID23723826
Molecular FormulaC21H32FN3O2
Molecular Weight377.50 g/mol
Exact Mass377.25
IUPAC NameN'-[[1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N,N,N'-trimethylbutanediamide
SMILESCN(C)C(=O)CCC(=O)N(C)CC1CCCN(CCc2ccc(F)cc2)C1
InChIInChI=1S/C21H32FN3O2/c1-23(2)20(26)10-11-21(27)24(3)15-18-5-4-13-25(16-18)14-12-17-6-8-19(22)9-7-17/h6-9,18H,4-5,10-16H2,1-3H3
InChIKeyPRLJBNYWQPEDCG-UHFFFAOYSA-N
XLogP2.41
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.50
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-[[1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N,N,N'-trimethylbutanediamide?
The IUPAC name of N'-[[1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N,N,N'-trimethylbutanediamide (CID 23723826) is N'-[[1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N,N,N'-trimethylbutanediamide.
What is the SMILES notation for N'-[[1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N,N,N'-trimethylbutanediamide?
The canonical SMILES for N'-[[1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N,N,N'-trimethylbutanediamide is CN(C)C(=O)CCC(=O)N(C)CC1CCCN(CCc2ccc(F)cc2)C1.
What is the InChIKey of N'-[[1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N,N,N'-trimethylbutanediamide?
The InChIKey is PRLJBNYWQPEDCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32FN3O2/c1-23(2)20(26)10-11-21(27)24(3)15-18-5-4-13-25(16-18)14-12-17-6-8-19(22)9-7-17/h6-9,18H,4-5,10-16H2,1-3H3.
What are the key properties of N'-[[1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N,N,N'-trimethylbutanediamide?
N'-[[1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N,N,N'-trimethylbutanediamide has a molecular weight of 377.50 g/mol, XLogP of 2.41, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N,N,N'-trimethylbutanediamide is sourced from PubChem (CID 23723826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).