3-piperidin-4-yl-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butanamide

C20H27F3N2O — CID 119806424

IUPAC3-piperidin-4-yl-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butanamide
SMILESCC(CC(=O)NC1(c2cccc(C(F)(F)F)c2)CCC1)C1CCNCC1
InChIInChI=1S/C20H27F3N2O/c1-14(15-6-10-24-11-7-15)12-18(26)25-19(8-3-9-19)16-4-2-5-17(13-16)20(21,22)23/h2,4-5,13-15,24H,3,6-12H2,1H3,(H,25,26)
InChIKeyZHOOEUWLWCHXGJ-UHFFFAOYSA-N
MW368.44 g/mol
LogP4.23
Rot. Bonds5

About 3-piperidin-4-yl-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butanamide

3-piperidin-4-yl-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butanamide (PubChem CID 119806424) has the molecular formula C20H27F3N2O and a molecular weight of 368.44 g/mol. Its IUPAC name is 3-piperidin-4-yl-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butanamide.

Molecular Properties

Compound Name3-piperidin-4-yl-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butanamide
PubChem CID119806424
Molecular FormulaC20H27F3N2O
Molecular Weight368.44 g/mol
Exact Mass368.21
IUPAC Name3-piperidin-4-yl-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butanamide
SMILESCC(CC(=O)NC1(c2cccc(C(F)(F)F)c2)CCC1)C1CCNCC1
InChIInChI=1S/C20H27F3N2O/c1-14(15-6-10-24-11-7-15)12-18(26)25-19(8-3-9-19)16-4-2-5-17(13-16)20(21,22)23/h2,4-5,13-15,24H,3,6-12H2,1H3,(H,25,26)
InChIKeyZHOOEUWLWCHXGJ-UHFFFAOYSA-N
XLogP4.23
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3-fluorophenyl)cyclopropyl]-3-piperidin-4-ylbutanamide
CID 119799474
4-amino-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]pentanamide
CID 120563496
4-amino-3-methoxy-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butanamide
CID 120593516
N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119771431
2-(methylamino)-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]acetamide;hydrochloride
CID 119806409
N-[1-(3-fluorophenyl)cyclopropyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119799463
2-methyl-3-(methylamino)-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]propanamide;hydrochloride
CID 119806417
2-(4-aminophenyl)-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]acetamide
CID 119806400
methyl N-[3-oxo-3-[[1-[3-(trifluoromethyl)phenyl]cyclobutyl]amino]propyl]carbamate
CID 71998913
1-piperidin-4-yl-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]triazole-4-carboxamide
CID 119806404
N-[2-acetamido-5-(trifluoromethyl)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119707018
3-piperidin-4-yl-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide;hydrochloride
CID 119696658

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-4-yl-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butanamide?
The IUPAC name of 3-piperidin-4-yl-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butanamide (CID 119806424) is 3-piperidin-4-yl-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butanamide.
What is the SMILES notation for 3-piperidin-4-yl-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butanamide?
The canonical SMILES for 3-piperidin-4-yl-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butanamide is CC(CC(=O)NC1(c2cccc(C(F)(F)F)c2)CCC1)C1CCNCC1.
What is the InChIKey of 3-piperidin-4-yl-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butanamide?
The InChIKey is ZHOOEUWLWCHXGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27F3N2O/c1-14(15-6-10-24-11-7-15)12-18(26)25-19(8-3-9-19)16-4-2-5-17(13-16)20(21,22)23/h2,4-5,13-15,24H,3,6-12H2,1H3,(H,25,26).
What are the key properties of 3-piperidin-4-yl-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butanamide?
3-piperidin-4-yl-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butanamide has a molecular weight of 368.44 g/mol, XLogP of 4.23, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-4-yl-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butanamide is sourced from PubChem (CID 119806424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).