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

C25H31FN4O2 — CID 56517800

IUPAC1-(4-fluorobenzoyl)-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]piperidine-3-carboxamide
SMILESCN1CCN(c2ccccc2CNC(=O)C2CCCN(C(=O)c3ccc(F)cc3)C2)CC1
InChIInChI=1S/C25H31FN4O2/c1-28-13-15-29(16-14-28)23-7-3-2-5-20(23)17-27-24(31)21-6-4-12-30(18-21)25(32)19-8-10-22(26)11-9-19/h2-3,5,7-11,21H,4,6,12-18H2,1H3,(H,27,31)
InChIKeyPQGUMWNHXQKQHI-UHFFFAOYSA-N
MW438.55 g/mol
LogP2.75
Rot. Bonds5

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

1-(4-fluorobenzoyl)-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]piperidine-3-carboxamide (PubChem CID 56517800) has the molecular formula C25H31FN4O2 and a molecular weight of 438.55 g/mol. Its IUPAC name is 1-(4-fluorobenzoyl)-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorobenzoyl)-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]piperidine-3-carboxamide
PubChem CID56517800
Molecular FormulaC25H31FN4O2
Molecular Weight438.55 g/mol
Exact Mass438.24
IUPAC Name1-(4-fluorobenzoyl)-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]piperidine-3-carboxamide
SMILESCN1CCN(c2ccccc2CNC(=O)C2CCCN(C(=O)c3ccc(F)cc3)C2)CC1
InChIInChI=1S/C25H31FN4O2/c1-28-13-15-29(16-14-28)23-7-3-2-5-20(23)17-27-24(31)21-6-4-12-30(18-21)25(32)19-8-10-22(26)11-9-19/h2-3,5,7-11,21H,4,6,12-18H2,1H3,(H,27,31)
InChIKeyPQGUMWNHXQKQHI-UHFFFAOYSA-N
XLogP2.75
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 ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-fluorobenzoyl)-N-[[2-(methoxymethyl)phenyl]methyl]piperidine-3-carboxamide
CID 134023186
1-[(3-fluorophenyl)methyl]-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]piperidine-3-carboxamide
CID 56523512
N-[2-(4-ethylpiperazin-1-yl)phenyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 24535038
1-(4-fluorobenzoyl)-N-[(4-pyrrolidin-1-ylphenyl)methyl]piperidine-3-carboxamide
CID 55657080
1-(4-fluorobenzoyl)-N-[(1-methylbenzimidazol-2-yl)methyl]piperidine-3-carboxamide
CID 55454693
1-(4-fluorobenzoyl)-N-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 18103397
1-(4-fluorobenzoyl)-N-[(2-methoxynaphthalen-1-yl)methyl]piperidine-3-carboxamide
CID 55567061
1-(4-fluorobenzoyl)-N-[(6-methyl-2-pyridinyl)methyl]piperidine-3-carboxamide
CID 87041460
1-(4-fluorobenzoyl)-N-methylpiperidine-3-carboxamide
CID 47128312
1-(4-fluorobenzoyl)-N-(2-phenylsulfanylethyl)piperidine-3-carboxamide
CID 51272724
1-(4-fluorobenzoyl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
CID 55454977
1-(4-fluorobenzoyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]piperidine-3-carboxamide
CID 46403336

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorobenzoyl)-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]piperidine-3-carboxamide?
The IUPAC name of 1-(4-fluorobenzoyl)-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]piperidine-3-carboxamide (CID 56517800) is 1-(4-fluorobenzoyl)-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(4-fluorobenzoyl)-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(4-fluorobenzoyl)-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]piperidine-3-carboxamide is CN1CCN(c2ccccc2CNC(=O)C2CCCN(C(=O)c3ccc(F)cc3)C2)CC1.
What is the InChIKey of 1-(4-fluorobenzoyl)-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]piperidine-3-carboxamide?
The InChIKey is PQGUMWNHXQKQHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31FN4O2/c1-28-13-15-29(16-14-28)23-7-3-2-5-20(23)17-27-24(31)21-6-4-12-30(18-21)25(32)19-8-10-22(26)11-9-19/h2-3,5,7-11,21H,4,6,12-18H2,1H3,(H,27,31).
What are the key properties of 1-(4-fluorobenzoyl)-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]piperidine-3-carboxamide?
1-(4-fluorobenzoyl)-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]piperidine-3-carboxamide has a molecular weight of 438.55 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorobenzoyl)-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 56517800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).