N-[(4-fluorophenyl)methyl]-2-[4-(2-fluorophenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide

C22H23F2N3O2 — CID 109136049

IUPACN-[(4-fluorophenyl)methyl]-2-[4-(2-fluorophenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide
SMILESO=C(NCc1ccc(F)cc1)C1CC1C(=O)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C22H23F2N3O2/c23-16-7-5-15(6-8-16)14-25-21(28)17-13-18(17)22(29)27-11-9-26(10-12-27)20-4-2-1-3-19(20)24/h1-8,17-18H,9-14H2,(H,25,28)
InChIKeyLMYCROZHUPPSDN-UHFFFAOYSA-N
MW399.44 g/mol
LogP2.57
Rot. Bonds5

About N-[(4-fluorophenyl)methyl]-2-[4-(2-fluorophenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide

N-[(4-fluorophenyl)methyl]-2-[4-(2-fluorophenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide (PubChem CID 109136049) has the molecular formula C22H23F2N3O2 and a molecular weight of 399.44 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-[4-(2-fluorophenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-[4-(2-fluorophenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide
PubChem CID109136049
Molecular FormulaC22H23F2N3O2
Molecular Weight399.44 g/mol
Exact Mass399.18
IUPAC NameN-[(4-fluorophenyl)methyl]-2-[4-(2-fluorophenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide
SMILESO=C(NCc1ccc(F)cc1)C1CC1C(=O)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C22H23F2N3O2/c23-16-7-5-15(6-8-16)14-25-21(28)17-13-18(17)22(29)27-11-9-26(10-12-27)20-4-2-1-3-19(20)24/h1-8,17-18H,9-14H2,(H,25,28)
InChIKeyLMYCROZHUPPSDN-UHFFFAOYSA-N
XLogP2.57
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.44
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(4-fluorophenyl)methyl]-2-[4-(2-fluorophenyl)piperazine-1-carbonyl]cyclopropane-1-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

(4-ethylpiperazin-1-yl)-[2-[4-(2-fluorophenyl)piperazine-1-carbonyl]cyclopropyl]methanone
CID 109134358
2-[(4-fluorophenyl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 60792836
N-[(2-fluorophenyl)methyl]-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide
CID 109131815
N-[(2-fluorophenyl)methyl]-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109135911
3-[(4-fluorophenyl)methylamino]-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one
CID 109021197
4-(2-fluorophenyl)-N-[(4-methylphenyl)methyl]piperazine-1-carboxamide
CID 27517573
2-[4-(2-fluorophenyl)piperazine-1-carbonyl]-N,N-dipropylcyclopropane-1-carboxamide
CID 109139092
N-benzyl-2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide
CID 109135029
N-(pyridin-4-ylmethyl)-2-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109137199
N-benzyl-3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-5-phenylpiperidine-1-carboxamide
CID 46069411
4-(2-ethylphenyl)-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide
CID 113107645
N-[(4-methoxyphenyl)methyl]-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109136547

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-[4-(2-fluorophenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-[4-(2-fluorophenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide (CID 109136049) is N-[(4-fluorophenyl)methyl]-2-[4-(2-fluorophenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-[4-(2-fluorophenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-[4-(2-fluorophenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide is O=C(NCc1ccc(F)cc1)C1CC1C(=O)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-[4-(2-fluorophenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide?
The InChIKey is LMYCROZHUPPSDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F2N3O2/c23-16-7-5-15(6-8-16)14-25-21(28)17-13-18(17)22(29)27-11-9-26(10-12-27)20-4-2-1-3-19(20)24/h1-8,17-18H,9-14H2,(H,25,28).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-[4-(2-fluorophenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide?
N-[(4-fluorophenyl)methyl]-2-[4-(2-fluorophenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide has a molecular weight of 399.44 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-[4-(2-fluorophenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 109136049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).