1-(4-fluorobenzoyl)-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]piperidine-4-carboxamide

C23H32FN3O2 — CID 56569031

IUPAC1-(4-fluorobenzoyl)-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]piperidine-4-carboxamide
SMILESCC(C)=CCN1CCC(NC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)CC1
InChIInChI=1S/C23H32FN3O2/c1-17(2)7-12-26-13-10-21(11-14-26)25-22(28)18-8-15-27(16-9-18)23(29)19-3-5-20(24)6-4-19/h3-7,18,21H,8-16H2,1-2H3,(H,25,28)
InChIKeyVEDGVIUUIQTIIB-UHFFFAOYSA-N
MW401.53 g/mol
LogP3.22
Rot. Bonds5

About 1-(4-fluorobenzoyl)-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]piperidine-4-carboxamide

1-(4-fluorobenzoyl)-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]piperidine-4-carboxamide (PubChem CID 56569031) has the molecular formula C23H32FN3O2 and a molecular weight of 401.53 g/mol. Its IUPAC name is 1-(4-fluorobenzoyl)-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorobenzoyl)-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]piperidine-4-carboxamide
PubChem CID56569031
Molecular FormulaC23H32FN3O2
Molecular Weight401.53 g/mol
Exact Mass401.25
IUPAC Name1-(4-fluorobenzoyl)-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]piperidine-4-carboxamide
SMILESCC(C)=CCN1CCC(NC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)CC1
InChIInChI=1S/C23H32FN3O2/c1-17(2)7-12-26-13-10-21(11-14-26)25-22(28)18-8-15-27(16-9-18)23(29)19-3-5-20(24)6-4-19/h3-7,18,21H,8-16H2,1-2H3,(H,25,28)
InChIKeyVEDGVIUUIQTIIB-UHFFFAOYSA-N
XLogP3.22
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.53
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(4-fluorobenzoyl)-N-[(3R)-oxolan-3-yl]piperidine-4-carboxamide
CID 124614187
N-[(3S)-1-(4-fluorobenzoyl)pyrrolidin-3-yl]cyclobutanecarboxamide
CID 95051653
1-(5-chloro-2-methoxybenzoyl)-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]piperidine-4-carboxamide
CID 56569664
N-[1-(4-methylbenzoyl)piperidin-4-yl]cyclobutanecarboxamide
CID 110820327
1-(4-chlorobenzoyl)-N-cyclopropylpiperidine-4-carboxamide
CID 1072789
N-cyclopropyl-1-(3,4-difluorobenzoyl)piperidine-4-carboxamide
CID 113002549
4-[[1-(4-methylbenzoyl)piperidin-4-yl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120673425
(4-fluorophenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride
CID 119413852
5-(4-fluorophenyl)-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]thiophene-2-carboxamide
CID 56569475
(3R)-N-cyclopentyl-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 25392682
N-cyclopentyl-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 26017391
N-(1-benzoylpiperidin-4-yl)cyclopentanecarboxamide
CID 110820191

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorobenzoyl)-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]piperidine-4-carboxamide?
The IUPAC name of 1-(4-fluorobenzoyl)-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]piperidine-4-carboxamide (CID 56569031) is 1-(4-fluorobenzoyl)-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-fluorobenzoyl)-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-(4-fluorobenzoyl)-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]piperidine-4-carboxamide is CC(C)=CCN1CCC(NC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)CC1.
What is the InChIKey of 1-(4-fluorobenzoyl)-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]piperidine-4-carboxamide?
The InChIKey is VEDGVIUUIQTIIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32FN3O2/c1-17(2)7-12-26-13-10-21(11-14-26)25-22(28)18-8-15-27(16-9-18)23(29)19-3-5-20(24)6-4-19/h3-7,18,21H,8-16H2,1-2H3,(H,25,28).
What are the key properties of 1-(4-fluorobenzoyl)-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]piperidine-4-carboxamide?
1-(4-fluorobenzoyl)-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]piperidine-4-carboxamide has a molecular weight of 401.53 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorobenzoyl)-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]piperidine-4-carboxamide is sourced from PubChem (CID 56569031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).