[4-(1H-pyrrol-3-yl)piperazin-1-yl]-[1-(trifluoromethyl)cyclobutyl]methanone

C14H18F3N3O — CID 141455735

IUPAC[4-(1H-pyrrol-3-yl)piperazin-1-yl]-[1-(trifluoromethyl)cyclobutyl]methanone
SMILESO=C(N1CCN(c2cc[nH]c2)CC1)C1(C(F)(F)F)CCC1
InChIInChI=1S/C14H18F3N3O/c15-14(16,17)13(3-1-4-13)12(21)20-8-6-19(7-9-20)11-2-5-18-10-11/h2,5,10,18H,1,3-4,6-9H2
InChIKeyBEHMSOAPFMZKDE-UHFFFAOYSA-N
MW301.31 g/mol
LogP2.40
Rot. Bonds2

About [4-(1H-pyrrol-3-yl)piperazin-1-yl]-[1-(trifluoromethyl)cyclobutyl]methanone

[4-(1H-pyrrol-3-yl)piperazin-1-yl]-[1-(trifluoromethyl)cyclobutyl]methanone (PubChem CID 141455735) has the molecular formula C14H18F3N3O and a molecular weight of 301.31 g/mol. Its IUPAC name is [4-(1H-pyrrol-3-yl)piperazin-1-yl]-[1-(trifluoromethyl)cyclobutyl]methanone.

Molecular Properties

Compound Name[4-(1H-pyrrol-3-yl)piperazin-1-yl]-[1-(trifluoromethyl)cyclobutyl]methanone
PubChem CID141455735
Molecular FormulaC14H18F3N3O
Molecular Weight301.31 g/mol
Exact Mass301.14
IUPAC Name[4-(1H-pyrrol-3-yl)piperazin-1-yl]-[1-(trifluoromethyl)cyclobutyl]methanone
SMILESO=C(N1CCN(c2cc[nH]c2)CC1)C1(C(F)(F)F)CCC1
InChIInChI=1S/C14H18F3N3O/c15-14(16,17)13(3-1-4-13)12(21)20-8-6-19(7-9-20)11-2-5-18-10-11/h2,5,10,18H,1,3-4,6-9H2
InChIKeyBEHMSOAPFMZKDE-UHFFFAOYSA-N
XLogP2.40
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.31
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [4-(1H-pyrrol-3-yl)piperazin-1-yl]-[1-(trifluoromethyl)cyclobutyl]methanone 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

1-ethyl-3-methyl-N-[2-(1H-pyrrol-1-yl)ethyl]-3-piperidinecarboxamide
CID 72845943
2,2,2-trifluoro-N-methyl-N-(1H-pyrrol-3-yl)acetamide
CID 115190191
(3S)-1-(1H-pyrrol-3-ylamino)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 175041383
1-(1H-pyrrol-3-ylamino)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 175041385
(3S)-N-(2,2-difluoroethyl)-1-[(1-methylpyrrol-3-yl)amino]piperidine-3-carboxamide
CID 175041698
N-(2,2-difluoroethyl)-1-[(1-methylpyrrol-3-yl)amino]piperidine-3-carboxamide
CID 175041699
1-[5-(1H-pyrrol-3-ylmethylamino)-2-(trifluoromethyl)piperidin-1-yl]ethanone
CID 137865901
4,4-dimethyl-3-(methylamino)-1-(1H-pyrrol-3-yl)azepan-2-one
CID 20589894
5,5-dimethyl-3-(methylamino)-1-(1H-pyrrol-3-yl)azepan-2-one
CID 20589992
6,6-dimethyl-3-(methylamino)-1-(1H-pyrrol-3-yl)azepan-2-one
CID 20590084
6-methyl-3-(methylamino)-1-(1H-pyrrol-3-yl)azepan-2-one
CID 20590125
3-oxo-3-[4-(1H-pyrrol-3-ylamino)piperidin-1-yl]propanenitrile
CID 69114693

Frequently Asked Questions

What is the IUPAC name of [4-(1H-pyrrol-3-yl)piperazin-1-yl]-[1-(trifluoromethyl)cyclobutyl]methanone?
The IUPAC name of [4-(1H-pyrrol-3-yl)piperazin-1-yl]-[1-(trifluoromethyl)cyclobutyl]methanone (CID 141455735) is [4-(1H-pyrrol-3-yl)piperazin-1-yl]-[1-(trifluoromethyl)cyclobutyl]methanone.
What is the SMILES notation for [4-(1H-pyrrol-3-yl)piperazin-1-yl]-[1-(trifluoromethyl)cyclobutyl]methanone?
The canonical SMILES for [4-(1H-pyrrol-3-yl)piperazin-1-yl]-[1-(trifluoromethyl)cyclobutyl]methanone is O=C(N1CCN(c2cc[nH]c2)CC1)C1(C(F)(F)F)CCC1.
What is the InChIKey of [4-(1H-pyrrol-3-yl)piperazin-1-yl]-[1-(trifluoromethyl)cyclobutyl]methanone?
The InChIKey is BEHMSOAPFMZKDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N3O/c15-14(16,17)13(3-1-4-13)12(21)20-8-6-19(7-9-20)11-2-5-18-10-11/h2,5,10,18H,1,3-4,6-9H2.
What are the key properties of [4-(1H-pyrrol-3-yl)piperazin-1-yl]-[1-(trifluoromethyl)cyclobutyl]methanone?
[4-(1H-pyrrol-3-yl)piperazin-1-yl]-[1-(trifluoromethyl)cyclobutyl]methanone has a molecular weight of 301.31 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1H-pyrrol-3-yl)piperazin-1-yl]-[1-(trifluoromethyl)cyclobutyl]methanone is sourced from PubChem (CID 141455735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).