N-cyclopropyl-1-[4-(dimethylamino)-3-fluorobenzoyl]piperidine-4-carboxamide

C18H24FN3O2 — CID 51096612

IUPACN-cyclopropyl-1-[4-(dimethylamino)-3-fluorobenzoyl]piperidine-4-carboxamide
SMILESCN(C)c1ccc(C(=O)N2CCC(C(=O)NC3CC3)CC2)cc1F
InChIInChI=1S/C18H24FN3O2/c1-21(2)16-6-3-13(11-15(16)19)18(24)22-9-7-12(8-10-22)17(23)20-14-4-5-14/h3,6,11-12,14H,4-5,7-10H2,1-2H3,(H,20,23)
InChIKeyQNIKNRSRCYTEGA-UHFFFAOYSA-N
MW333.41 g/mol
LogP2.02
Rot. Bonds4

About N-cyclopropyl-1-[4-(dimethylamino)-3-fluorobenzoyl]piperidine-4-carboxamide

N-cyclopropyl-1-[4-(dimethylamino)-3-fluorobenzoyl]piperidine-4-carboxamide (PubChem CID 51096612) has the molecular formula C18H24FN3O2 and a molecular weight of 333.41 g/mol. Its IUPAC name is N-cyclopropyl-1-[4-(dimethylamino)-3-fluorobenzoyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-[4-(dimethylamino)-3-fluorobenzoyl]piperidine-4-carboxamide
PubChem CID51096612
Molecular FormulaC18H24FN3O2
Molecular Weight333.41 g/mol
Exact Mass333.19
IUPAC NameN-cyclopropyl-1-[4-(dimethylamino)-3-fluorobenzoyl]piperidine-4-carboxamide
SMILESCN(C)c1ccc(C(=O)N2CCC(C(=O)NC3CC3)CC2)cc1F
InChIInChI=1S/C18H24FN3O2/c1-21(2)16-6-3-13(11-15(16)19)18(24)22-9-7-12(8-10-22)17(23)20-14-4-5-14/h3,6,11-12,14H,4-5,7-10H2,1-2H3,(H,20,23)
InChIKeyQNIKNRSRCYTEGA-UHFFFAOYSA-N
XLogP2.02
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-1-(3,4-difluorobenzoyl)piperidine-4-carboxamide
CID 113002549
1-(4-chlorobenzoyl)-N-cyclopropylpiperidine-4-carboxamide
CID 1072789
1-(3,4-difluorobenzoyl)-N,N-dimethylpiperidine-4-carboxamide
CID 110350822
1-(3,4-difluorobenzoyl)-N-ethylpiperidine-4-carboxamide
CID 110350917
N-cyclopropyl-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide
CID 113002527
N-cyclopropyl-1-[4-[(4-fluoro-3-methylphenyl)sulfonylamino]benzoyl]piperidine-4-carboxamide
CID 55954695
4-[[1-(4-methylbenzoyl)piperidin-4-yl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120673425
methyl N-[1-(3,4-difluorobenzoyl)piperidin-4-yl]carbamate
CID 110821660
1-[3-amino-4-(dimethylamino)benzoyl]piperidine-4-carboxamide
CID 61089682
N-cyclopropyl-1-[1-(3-methylbenzoyl)piperidin-4-yl]piperidine-4-carboxamide
CID 42395399
N-[1-(4-methylbenzoyl)piperidin-4-yl]cyclobutanecarboxamide
CID 110820327
N-cycloheptyl-1-(2-fluorobenzoyl)piperidine-4-carboxamide
CID 17019024

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-[4-(dimethylamino)-3-fluorobenzoyl]piperidine-4-carboxamide?
The IUPAC name of N-cyclopropyl-1-[4-(dimethylamino)-3-fluorobenzoyl]piperidine-4-carboxamide (CID 51096612) is N-cyclopropyl-1-[4-(dimethylamino)-3-fluorobenzoyl]piperidine-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-[4-(dimethylamino)-3-fluorobenzoyl]piperidine-4-carboxamide?
The canonical SMILES for N-cyclopropyl-1-[4-(dimethylamino)-3-fluorobenzoyl]piperidine-4-carboxamide is CN(C)c1ccc(C(=O)N2CCC(C(=O)NC3CC3)CC2)cc1F.
What is the InChIKey of N-cyclopropyl-1-[4-(dimethylamino)-3-fluorobenzoyl]piperidine-4-carboxamide?
The InChIKey is QNIKNRSRCYTEGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN3O2/c1-21(2)16-6-3-13(11-15(16)19)18(24)22-9-7-12(8-10-22)17(23)20-14-4-5-14/h3,6,11-12,14H,4-5,7-10H2,1-2H3,(H,20,23).
What are the key properties of N-cyclopropyl-1-[4-(dimethylamino)-3-fluorobenzoyl]piperidine-4-carboxamide?
N-cyclopropyl-1-[4-(dimethylamino)-3-fluorobenzoyl]piperidine-4-carboxamide has a molecular weight of 333.41 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-[4-(dimethylamino)-3-fluorobenzoyl]piperidine-4-carboxamide is sourced from PubChem (CID 51096612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).