N-[3-[4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl]phenyl]-2,2-dimethylpropanamide

C23H28FN3O2 — CID 30476118

IUPACN-[3-[4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl]phenyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1cccc(C(=O)N2CCN(Cc3ccccc3F)CC2)c1
InChIInChI=1S/C23H28FN3O2/c1-23(2,3)22(29)25-19-9-6-8-17(15-19)21(28)27-13-11-26(12-14-27)16-18-7-4-5-10-20(18)24/h4-10,15H,11-14,16H2,1-3H3,(H,25,29)
InChIKeyCVWJMZVPSMIXFD-UHFFFAOYSA-N
MW397.49 g/mol
LogP3.77
Rot. Bonds4

About N-[3-[4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl]phenyl]-2,2-dimethylpropanamide

N-[3-[4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl]phenyl]-2,2-dimethylpropanamide (PubChem CID 30476118) has the molecular formula C23H28FN3O2 and a molecular weight of 397.49 g/mol. Its IUPAC name is N-[3-[4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl]phenyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[3-[4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl]phenyl]-2,2-dimethylpropanamide
PubChem CID30476118
Molecular FormulaC23H28FN3O2
Molecular Weight397.49 g/mol
Exact Mass397.22
IUPAC NameN-[3-[4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl]phenyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1cccc(C(=O)N2CCN(Cc3ccccc3F)CC2)c1
InChIInChI=1S/C23H28FN3O2/c1-23(2,3)22(29)25-19-9-6-8-17(15-19)21(28)27-13-11-26(12-14-27)16-18-7-4-5-10-20(18)24/h4-10,15H,11-14,16H2,1-3H3,(H,25,29)
InChIKeyCVWJMZVPSMIXFD-UHFFFAOYSA-N
XLogP3.77
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.49
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[3-[4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl]phenyl]-2,2-dimethylpropanamide 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

2,2-dimethyl-N-[3-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]phenyl]propanamide
CID 30535421
1-[3-(2,2-dimethylpropanoylamino)benzoyl]-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 55779153
N-[3-[4-(1,3-benzothiazol-2-ylmethyl)piperazine-1-carbonyl]phenyl]-2,2-dimethylpropanamide
CID 99179828
N-[3-(4-hydroxypiperidine-1-carbonyl)phenyl]-2,2-dimethylpropanamide
CID 110884052
N-[3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl]-2,2-dimethylpropanamide
CID 34471106
(3,5-dichlorophenyl)-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 27756291
3-[4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl]-N-prop-2-ynylbenzenesulfonamide
CID 31114867
N-[3-[(4-benzoylpiperazin-1-yl)methyl]-4-pyridinyl]-2,2-dimethylpropanamide
CID 86815098
N-[3-[4-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazine-1-carbonyl]phenyl]-2,2-dimethylpropanamide
CID 46558159
2,2-dimethyl-N-[3-[[2-oxo-2-[3-(piperidine-1-carbonyl)anilino]ethyl]amino]phenyl]propanamide
CID 54835732
3-(2-fluorophenyl)-N-[3-(piperidine-1-carbonyl)phenyl]propanamide
CID 55862325
(4-ethylpiperazin-1-yl)-[5-[(2-fluorophenyl)methylamino]-3-pyridinyl]methanone
CID 109230420

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl]phenyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[3-[4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl]phenyl]-2,2-dimethylpropanamide (CID 30476118) is N-[3-[4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl]phenyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[3-[4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl]phenyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[3-[4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl]phenyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1cccc(C(=O)N2CCN(Cc3ccccc3F)CC2)c1.
What is the InChIKey of N-[3-[4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl]phenyl]-2,2-dimethylpropanamide?
The InChIKey is CVWJMZVPSMIXFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN3O2/c1-23(2,3)22(29)25-19-9-6-8-17(15-19)21(28)27-13-11-26(12-14-27)16-18-7-4-5-10-20(18)24/h4-10,15H,11-14,16H2,1-3H3,(H,25,29).
What are the key properties of N-[3-[4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl]phenyl]-2,2-dimethylpropanamide?
N-[3-[4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl]phenyl]-2,2-dimethylpropanamide has a molecular weight of 397.49 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl]phenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 30476118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).