N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide

C20H27F3N4O3 — CID 86944759

IUPACN-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESO=C(Cn1cc(C(F)(F)F)ccc1=O)NCCN1CCN(C(=O)C2CCCC2)CC1
InChIInChI=1S/C20H27F3N4O3/c21-20(22,23)16-5-6-18(29)27(13-16)14-17(28)24-7-8-25-9-11-26(12-10-25)19(30)15-3-1-2-4-15/h5-6,13,15H,1-4,7-12,14H2,(H,24,28)
InChIKeyXAWBNXOGJXQOPT-UHFFFAOYSA-N
MW428.46 g/mol
LogP1.32
Rot. Bonds6

About N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide

N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide (PubChem CID 86944759) has the molecular formula C20H27F3N4O3 and a molecular weight of 428.46 g/mol. Its IUPAC name is N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
PubChem CID86944759
Molecular FormulaC20H27F3N4O3
Molecular Weight428.46 g/mol
Exact Mass428.20
IUPAC NameN-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESO=C(Cn1cc(C(F)(F)F)ccc1=O)NCCN1CCN(C(=O)C2CCCC2)CC1
InChIInChI=1S/C20H27F3N4O3/c21-20(22,23)16-5-6-18(29)27(13-16)14-17(28)24-7-8-25-9-11-26(12-10-25)19(30)15-3-1-2-4-15/h5-6,13,15H,1-4,7-12,14H2,(H,24,28)
InChIKeyXAWBNXOGJXQOPT-UHFFFAOYSA-N
XLogP1.32
TPSA74.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.46
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide 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-(2-methylpropyl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]piperidine-4-carboxamide
CID 53506463
2-{[2-oxo-5-(trifluoromethyl)-1(2H)-pyridinyl]acetyl}-2,7-diazaspiro[4.5]decan-6-one
CID 72925849
1-[2-(2,7-diazaspiro[4.5]dec-2-yl)-2-oxoethyl]-5-(trifluoromethyl)-2(1H)-pyridinone hydrochloride
CID 56749370
N-[[1-[2-(pentylamino)acetyl]piperidin-4-yl]methyl]-3,5-bis(trifluoromethyl)cyclohexa-1,3-diene-1-carboxamide
CID 130216577
4-ethyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]hept-6-enamide
CID 138578414
2-[(3S)-4,4-difluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]propanamide
CID 164734556
(2S)-2-[3-(1-ethyl-6-oxo-3-pyridinyl)-4,4-difluoropiperidin-1-yl]propanamide
CID 168877654
2-[4,4-difluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]propanamide
CID 175704373
N-(cyclohexylmethyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 2637006
(3R)-1-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]piperidine-3-carboxamide
CID 38846445
(3S)-1-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]piperidine-3-carboxamide
CID 38846446
N-[2-(3-methylpiperidin-1-yl)ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 47035939

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The IUPAC name of N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide (CID 86944759) is N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide.
What is the SMILES notation for N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The canonical SMILES for N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide is O=C(Cn1cc(C(F)(F)F)ccc1=O)NCCN1CCN(C(=O)C2CCCC2)CC1.
What is the InChIKey of N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The InChIKey is XAWBNXOGJXQOPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27F3N4O3/c21-20(22,23)16-5-6-18(29)27(13-16)14-17(28)24-7-8-25-9-11-26(12-10-25)19(30)15-3-1-2-4-15/h5-6,13,15H,1-4,7-12,14H2,(H,24,28).
What are the key properties of N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide has a molecular weight of 428.46 g/mol, XLogP of 1.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide is sourced from PubChem (CID 86944759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).