N-cyclopentyl-2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]propanamide

C20H28F3N3O — CID 18088721

IUPACN-cyclopentyl-2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]propanamide
SMILESCC(C(=O)NC1CCCC1)N1CCN(Cc2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C20H28F3N3O/c1-15(19(27)24-18-7-2-3-8-18)26-11-9-25(10-12-26)14-16-5-4-6-17(13-16)20(21,22)23/h4-6,13,15,18H,2-3,7-12,14H2,1H3,(H,24,27)
InChIKeyKRVRGLKMNAGSJZ-UHFFFAOYSA-N
MW383.46 g/mol
LogP3.27
Rot. Bonds5

About N-cyclopentyl-2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]propanamide

N-cyclopentyl-2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]propanamide (PubChem CID 18088721) has the molecular formula C20H28F3N3O and a molecular weight of 383.46 g/mol. Its IUPAC name is N-cyclopentyl-2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]propanamide
PubChem CID18088721
Molecular FormulaC20H28F3N3O
Molecular Weight383.46 g/mol
Exact Mass383.22
IUPAC NameN-cyclopentyl-2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]propanamide
SMILESCC(C(=O)NC1CCCC1)N1CCN(Cc2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C20H28F3N3O/c1-15(19(27)24-18-7-2-3-8-18)26-11-9-25(10-12-26)14-16-5-4-6-17(13-16)20(21,22)23/h4-6,13,15,18H,2-3,7-12,14H2,1H3,(H,24,27)
InChIKeyKRVRGLKMNAGSJZ-UHFFFAOYSA-N
XLogP3.27
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.46
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-cyclopentyl-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]propanamide
CID 9266173
(2S)-2-(4-benzylpiperazin-1-yl)-N-cyclopentylpropanamide
CID 2410459
(2S)-2-(4-benzylpiperazin-1-yl)-N-cyclohexylpropanamide
CID 51613241
2-[4-[(3-bromophenyl)methyl]piperazin-1-yl]-N-cyclopropylpropanamide
CID 51301703
(2S)-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-cyclopentylpropanamide
CID 9389740
2-[4-[(3-cyanophenyl)methyl]piperazin-1-yl]-N-cyclopropylpropanamide
CID 47018326
2-phenyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide
CID 10948807
N-cyclopropyl-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 163345849
(2S)-N-(cyclopentylcarbamoyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide
CID 9459953
N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-2-(trifluoromethylsulfanyl)acetamide
CID 55945248
cyclohexyl-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 19329676
2-(4-ethoxyphenoxy)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide
CID 86812682

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]propanamide?
The IUPAC name of N-cyclopentyl-2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]propanamide (CID 18088721) is N-cyclopentyl-2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]propanamide.
What is the SMILES notation for N-cyclopentyl-2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]propanamide?
The canonical SMILES for N-cyclopentyl-2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]propanamide is CC(C(=O)NC1CCCC1)N1CCN(Cc2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of N-cyclopentyl-2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]propanamide?
The InChIKey is KRVRGLKMNAGSJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28F3N3O/c1-15(19(27)24-18-7-2-3-8-18)26-11-9-25(10-12-26)14-16-5-4-6-17(13-16)20(21,22)23/h4-6,13,15,18H,2-3,7-12,14H2,1H3,(H,24,27).
What are the key properties of N-cyclopentyl-2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]propanamide?
N-cyclopentyl-2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]propanamide has a molecular weight of 383.46 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]propanamide is sourced from PubChem (CID 18088721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).