N,N-diethyl-3-(4-fluorobenzoyl)piperidine-1-carboxamide

C17H23FN2O2 — CID 110394813

IUPACN,N-diethyl-3-(4-fluorobenzoyl)piperidine-1-carboxamide
SMILESCCN(CC)C(=O)N1CCCC(C(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C17H23FN2O2/c1-3-19(4-2)17(22)20-11-5-6-14(12-20)16(21)13-7-9-15(18)10-8-13/h7-10,14H,3-6,11-12H2,1-2H3
InChIKeyQYEXONYAIDQRMH-UHFFFAOYSA-N
MW306.38 g/mol
LogP3.18
Rot. Bonds4

About N,N-diethyl-3-(4-fluorobenzoyl)piperidine-1-carboxamide

N,N-diethyl-3-(4-fluorobenzoyl)piperidine-1-carboxamide (PubChem CID 110394813) has the molecular formula C17H23FN2O2 and a molecular weight of 306.38 g/mol. Its IUPAC name is N,N-diethyl-3-(4-fluorobenzoyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-3-(4-fluorobenzoyl)piperidine-1-carboxamide
PubChem CID110394813
Molecular FormulaC17H23FN2O2
Molecular Weight306.38 g/mol
Exact Mass306.17
IUPAC NameN,N-diethyl-3-(4-fluorobenzoyl)piperidine-1-carboxamide
SMILESCCN(CC)C(=O)N1CCCC(C(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C17H23FN2O2/c1-3-19(4-2)17(22)20-11-5-6-14(12-20)16(21)13-7-9-15(18)10-8-13/h7-10,14H,3-6,11-12H2,1-2H3
InChIKeyQYEXONYAIDQRMH-UHFFFAOYSA-N
XLogP3.18
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-1-[3-(4-fluorobenzoyl)piperidin-1-yl]ethanone
CID 119332026
cyclohexyl-[(3S)-3-(4-fluorobenzoyl)piperidin-1-yl]methanone
CID 69455656
(2R)-2-amino-1-[3-(4-fluorobenzoyl)piperidin-1-yl]propan-1-one
CID 119332040
(4-fluorophenyl)-[(3S)-1-(morpholine-4-carbonyl)piperidin-3-yl]methanone
CID 69455638
(4-fluorophenyl)-[1-(2-hydroxycyclopentanecarbonyl)piperidin-3-yl]methanone
CID 110014714
(3S)-N,N-diethyl-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxamide
CID 94028091
(4-fluorophenyl)-[1-(3-methylbenzoyl)piperidin-3-yl]methanone
CID 110394780
(2R)-2-[(3S)-3-(4-fluorobenzoyl)piperidin-1-yl]propanoic acid
CID 100637681
(4-fluorophenyl)-[1-(2-hydroxy-2-methylpropyl)piperidin-3-yl]methanone
CID 111436466
[(3S)-1-[(3R)-1,1-dioxothiolane-3-carbonyl]piperidin-3-yl]-(4-fluorophenyl)methanone
CID 100619159
(4-fluorophenyl)-[(3R)-1-(5-methyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]methanone
CID 95773916
N,N-diethyl-3-(N'-hydroxycarbamimidoyl)piperidine-1-carboxamide
CID 79162286

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-(4-fluorobenzoyl)piperidine-1-carboxamide?
The IUPAC name of N,N-diethyl-3-(4-fluorobenzoyl)piperidine-1-carboxamide (CID 110394813) is N,N-diethyl-3-(4-fluorobenzoyl)piperidine-1-carboxamide.
What is the SMILES notation for N,N-diethyl-3-(4-fluorobenzoyl)piperidine-1-carboxamide?
The canonical SMILES for N,N-diethyl-3-(4-fluorobenzoyl)piperidine-1-carboxamide is CCN(CC)C(=O)N1CCCC(C(=O)c2ccc(F)cc2)C1.
What is the InChIKey of N,N-diethyl-3-(4-fluorobenzoyl)piperidine-1-carboxamide?
The InChIKey is QYEXONYAIDQRMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O2/c1-3-19(4-2)17(22)20-11-5-6-14(12-20)16(21)13-7-9-15(18)10-8-13/h7-10,14H,3-6,11-12H2,1-2H3.
What are the key properties of N,N-diethyl-3-(4-fluorobenzoyl)piperidine-1-carboxamide?
N,N-diethyl-3-(4-fluorobenzoyl)piperidine-1-carboxamide has a molecular weight of 306.38 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-(4-fluorobenzoyl)piperidine-1-carboxamide is sourced from PubChem (CID 110394813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).