N-[2-(4-ethylpiperazin-1-yl)phenyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide

C25H31FN4O2 — CID 24535038

IUPACN-[2-(4-ethylpiperazin-1-yl)phenyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide
SMILESCCN1CCN(c2ccccc2NC(=O)C2CCCN(C(=O)c3ccc(F)cc3)C2)CC1
InChIInChI=1S/C25H31FN4O2/c1-2-28-14-16-29(17-15-28)23-8-4-3-7-22(23)27-24(31)20-6-5-13-30(18-20)25(32)19-9-11-21(26)12-10-19/h3-4,7-12,20H,2,5-6,13-18H2,1H3,(H,27,31)
InChIKeyBJEWFMNFIKBLNH-UHFFFAOYSA-N
MW438.55 g/mol
LogP3.46
Rot. Bonds5

About N-[2-(4-ethylpiperazin-1-yl)phenyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide

N-[2-(4-ethylpiperazin-1-yl)phenyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide (PubChem CID 24535038) has the molecular formula C25H31FN4O2 and a molecular weight of 438.55 g/mol. Its IUPAC name is N-[2-(4-ethylpiperazin-1-yl)phenyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-ethylpiperazin-1-yl)phenyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide
PubChem CID24535038
Molecular FormulaC25H31FN4O2
Molecular Weight438.55 g/mol
Exact Mass438.24
IUPAC NameN-[2-(4-ethylpiperazin-1-yl)phenyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide
SMILESCCN1CCN(c2ccccc2NC(=O)C2CCCN(C(=O)c3ccc(F)cc3)C2)CC1
InChIInChI=1S/C25H31FN4O2/c1-2-28-14-16-29(17-15-28)23-8-4-3-7-22(23)27-24(31)20-6-5-13-30(18-20)25(32)19-9-11-21(26)12-10-19/h3-4,7-12,20H,2,5-6,13-18H2,1H3,(H,27,31)
InChIKeyBJEWFMNFIKBLNH-UHFFFAOYSA-N
XLogP3.46
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chlorophenyl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 51272015
N-(2-piperidin-1-ylphenyl)-1-propanoylpiperidine-3-carboxamide
CID 60529718
N-(2,4-difluorophenyl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 51272463
1-(4-fluorobenzoyl)-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]piperidine-3-carboxamide
CID 56517800
(3S)-1-(furan-3-carbonyl)-N-(2-pyrrolidin-1-ylphenyl)piperidine-3-carboxamide
CID 30806067
1-(4-fluorobenzoyl)-N-(2-prop-2-enylsulfanylphenyl)piperidine-3-carboxamide
CID 24535111
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]phenyl]cyclohexanecarboxamide
CID 648152
1-(4-fluorobenzoyl)-N-(2,3,4-trifluorophenyl)piperidine-3-carboxamide
CID 24534971
1-(4-fluorobenzoyl)-N-methylpiperidine-3-carboxamide
CID 47128312
1-(4-fluorobenzoyl)-N-(2-methyl-3-nitrophenyl)piperidine-3-carboxamide
CID 24535053
N-[5-(ethylcarbamoyl)-2-methylphenyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 55782726
N-(5-chloro-2-methylphenyl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 46650461

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethylpiperazin-1-yl)phenyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide?
The IUPAC name of N-[2-(4-ethylpiperazin-1-yl)phenyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide (CID 24535038) is N-[2-(4-ethylpiperazin-1-yl)phenyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide.
What is the SMILES notation for N-[2-(4-ethylpiperazin-1-yl)phenyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide?
The canonical SMILES for N-[2-(4-ethylpiperazin-1-yl)phenyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide is CCN1CCN(c2ccccc2NC(=O)C2CCCN(C(=O)c3ccc(F)cc3)C2)CC1.
What is the InChIKey of N-[2-(4-ethylpiperazin-1-yl)phenyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide?
The InChIKey is BJEWFMNFIKBLNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31FN4O2/c1-2-28-14-16-29(17-15-28)23-8-4-3-7-22(23)27-24(31)20-6-5-13-30(18-20)25(32)19-9-11-21(26)12-10-19/h3-4,7-12,20H,2,5-6,13-18H2,1H3,(H,27,31).
What are the key properties of N-[2-(4-ethylpiperazin-1-yl)phenyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide?
N-[2-(4-ethylpiperazin-1-yl)phenyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide has a molecular weight of 438.55 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethylpiperazin-1-yl)phenyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide is sourced from PubChem (CID 24535038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).