N-[3-[4-(3,4-difluorobenzoyl)piperazine-1-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide

C23H23F2N3O3 — CID 55651270

IUPACN-[3-[4-(3,4-difluorobenzoyl)piperazine-1-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide
SMILESCC1CC1C(=O)Nc1cccc(C(=O)N2CCN(C(=O)c3ccc(F)c(F)c3)CC2)c1
InChIInChI=1S/C23H23F2N3O3/c1-14-11-18(14)21(29)26-17-4-2-3-15(12-17)22(30)27-7-9-28(10-8-27)23(31)16-5-6-19(24)20(25)13-16/h2-6,12-14,18H,7-11H2,1H3,(H,26,29)
InChIKeyWURORWRHOZUWPG-UHFFFAOYSA-N
MW427.45 g/mol
LogP3.16
Rot. Bonds4

About N-[3-[4-(3,4-difluorobenzoyl)piperazine-1-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide

N-[3-[4-(3,4-difluorobenzoyl)piperazine-1-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide (PubChem CID 55651270) has the molecular formula C23H23F2N3O3 and a molecular weight of 427.45 g/mol. Its IUPAC name is N-[3-[4-(3,4-difluorobenzoyl)piperazine-1-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[3-[4-(3,4-difluorobenzoyl)piperazine-1-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide
PubChem CID55651270
Molecular FormulaC23H23F2N3O3
Molecular Weight427.45 g/mol
Exact Mass427.17
IUPAC NameN-[3-[4-(3,4-difluorobenzoyl)piperazine-1-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide
SMILESCC1CC1C(=O)Nc1cccc(C(=O)N2CCN(C(=O)c3ccc(F)c(F)c3)CC2)c1
InChIInChI=1S/C23H23F2N3O3/c1-14-11-18(14)21(29)26-17-4-2-3-15(12-17)22(30)27-7-9-28(10-8-27)23(31)16-5-6-19(24)20(25)13-16/h2-6,12-14,18H,7-11H2,1H3,(H,26,29)
InChIKeyWURORWRHOZUWPG-UHFFFAOYSA-N
XLogP3.16
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.45
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[3-(4-phenylpiperazine-1-carbonyl)phenyl]cyclopropane-1-carboxamide
CID 55647883
N-[3-[4-(3-methoxy-4-methylbenzoyl)piperazine-1-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide
CID 55808081
2-methyl-N-[3-[4-(methylamino)piperidine-1-carbonyl]phenyl]cyclopropane-1-carboxamide;hydrochloride
CID 119562707
trans-(1R,2R)-N-(3-acetylphenyl)-2-methylcyclopropane-1-carboxamide
CID 2111342
2-methyl-N-[3-[4-[(4-propan-2-ylphenyl)methyl]piperazine-1-carbonyl]phenyl]cyclopropane-1-carboxamide
CID 55650507
N-[3-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide;hydrochloride
CID 120655838
cis-(1S,2R)-N-[4-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide
CID 38765611
N-[3-(6-chloro-2,3-dihydro-1,4-benzothiazine-4-carbonyl)phenyl]-2-methylcyclopropane-1-carboxamide
CID 55669572
N-(2-fluorophenyl)-3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]benzamide
CID 39889326
N-[3-[[(3-chlorobenzoyl)amino]carbamoyl]phenyl]-2-methylcyclopropane-1-carboxamide
CID 46450403
2-methyl-N-[3-[4-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]piperidine-1-carbonyl]phenyl]cyclopropane-1-carboxamide
CID 75386847
N-(2-methoxyphenyl)-1-[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]piperidine-4-carboxamide
CID 46432087

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(3,4-difluorobenzoyl)piperazine-1-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide?
The IUPAC name of N-[3-[4-(3,4-difluorobenzoyl)piperazine-1-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide (CID 55651270) is N-[3-[4-(3,4-difluorobenzoyl)piperazine-1-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[3-[4-(3,4-difluorobenzoyl)piperazine-1-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide?
The canonical SMILES for N-[3-[4-(3,4-difluorobenzoyl)piperazine-1-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide is CC1CC1C(=O)Nc1cccc(C(=O)N2CCN(C(=O)c3ccc(F)c(F)c3)CC2)c1.
What is the InChIKey of N-[3-[4-(3,4-difluorobenzoyl)piperazine-1-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide?
The InChIKey is WURORWRHOZUWPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F2N3O3/c1-14-11-18(14)21(29)26-17-4-2-3-15(12-17)22(30)27-7-9-28(10-8-27)23(31)16-5-6-19(24)20(25)13-16/h2-6,12-14,18H,7-11H2,1H3,(H,26,29).
What are the key properties of N-[3-[4-(3,4-difluorobenzoyl)piperazine-1-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide?
N-[3-[4-(3,4-difluorobenzoyl)piperazine-1-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide has a molecular weight of 427.45 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(3,4-difluorobenzoyl)piperazine-1-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 55651270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).