N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide

C21H29F3N4O2 — CID 112829490

IUPACN-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide
SMILESCCN1CCN(Cc2ccccc2CNC(=O)C2CCC(C(F)(F)F)NC2=O)CC1
InChIInChI=1S/C21H29F3N4O2/c1-2-27-9-11-28(12-10-27)14-16-6-4-3-5-15(16)13-25-19(29)17-7-8-18(21(22,23)24)26-20(17)30/h3-6,17-18H,2,7-14H2,1H3,(H,25,29)(H,26,30)
InChIKeySNRCWMZNRPXQIT-UHFFFAOYSA-N
MW426.48 g/mol
LogP1.90
Rot. Bonds6

About N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide

N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide (PubChem CID 112829490) has the molecular formula C21H29F3N4O2 and a molecular weight of 426.48 g/mol. Its IUPAC name is N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide
PubChem CID112829490
Molecular FormulaC21H29F3N4O2
Molecular Weight426.48 g/mol
Exact Mass426.22
IUPAC NameN-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide
SMILESCCN1CCN(Cc2ccccc2CNC(=O)C2CCC(C(F)(F)F)NC2=O)CC1
InChIInChI=1S/C21H29F3N4O2/c1-2-27-9-11-28(12-10-27)14-16-6-4-3-5-15(16)13-25-19(29)17-7-8-18(21(22,23)24)26-20(17)30/h3-6,17-18H,2,7-14H2,1H3,(H,25,29)(H,26,30)
InChIKeySNRCWMZNRPXQIT-UHFFFAOYSA-N
XLogP1.90
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.48
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide 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

N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 55715034
N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-2,2-dimethylpropanamide
CID 47029367
3-amino-N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]cyclopentane-1-carboxamide
CID 119901656
N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-1,1-dioxothiolane-3-carboxamide
CID 55714786
N-[2-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]cyclopropanecarboxamide
CID 55842889
N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 55715142
N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide
CID 112826975
1-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-3-[2-(2,2,2-trifluoroethoxy)ethyl]urea
CID 78889597
N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-4-(2,2,2-trifluoroethyl)-1,4-diazepane-1-carboxamide
CID 78890870
1-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-2-methylguanidine
CID 110915955
(3S)-N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-3-phenylbutanamide
CID 51948261
N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 55762545

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide?
The IUPAC name of N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide (CID 112829490) is N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide.
What is the SMILES notation for N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide?
The canonical SMILES for N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide is CCN1CCN(Cc2ccccc2CNC(=O)C2CCC(C(F)(F)F)NC2=O)CC1.
What is the InChIKey of N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide?
The InChIKey is SNRCWMZNRPXQIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29F3N4O2/c1-2-27-9-11-28(12-10-27)14-16-6-4-3-5-15(16)13-25-19(29)17-7-8-18(21(22,23)24)26-20(17)30/h3-6,17-18H,2,7-14H2,1H3,(H,25,29)(H,26,30).
What are the key properties of N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide?
N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide has a molecular weight of 426.48 g/mol, XLogP of 1.90, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide is sourced from PubChem (CID 112829490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).