N-[1-(3,4-difluorobenzoyl)piperidin-3-yl]acetamide

C14H16F2N2O2 — CID 47250997

IUPACN-[1-(3,4-difluorobenzoyl)piperidin-3-yl]acetamide
SMILESCC(=O)NC1CCCN(C(=O)c2ccc(F)c(F)c2)C1
InChIInChI=1S/C14H16F2N2O2/c1-9(19)17-11-3-2-6-18(8-11)14(20)10-4-5-12(15)13(16)7-10/h4-5,7,11H,2-3,6,8H2,1H3,(H,17,19)
InChIKeyGNIZYAAAAIACQD-UHFFFAOYSA-N
MW282.29 g/mol
LogP1.71
Rot. Bonds2

About N-[1-(3,4-difluorobenzoyl)piperidin-3-yl]acetamide

N-[1-(3,4-difluorobenzoyl)piperidin-3-yl]acetamide (PubChem CID 47250997) has the molecular formula C14H16F2N2O2 and a molecular weight of 282.29 g/mol. Its IUPAC name is N-[1-(3,4-difluorobenzoyl)piperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-(3,4-difluorobenzoyl)piperidin-3-yl]acetamide
PubChem CID47250997
Molecular FormulaC14H16F2N2O2
Molecular Weight282.29 g/mol
Exact Mass282.12
IUPAC NameN-[1-(3,4-difluorobenzoyl)piperidin-3-yl]acetamide
SMILESCC(=O)NC1CCCN(C(=O)c2ccc(F)c(F)c2)C1
InChIInChI=1S/C14H16F2N2O2/c1-9(19)17-11-3-2-6-18(8-11)14(20)10-4-5-12(15)13(16)7-10/h4-5,7,11H,2-3,6,8H2,1H3,(H,17,19)
InChIKeyGNIZYAAAAIACQD-UHFFFAOYSA-N
XLogP1.71
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.29
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-acetamidopiperidine-1-carbonyl)benzoic acid
CID 126774407
(3S)-3-acetamido-N-(3,4-difluorophenyl)piperidine-1-carboxamide
CID 96559490
N-[1-(2,3-dihydro-1H-indole-5-carbonyl)piperidin-3-yl]acetamide
CID 60947810
methyl 1-(3,4-difluorobenzoyl)piperidine-3-carboxylate
CID 78919125
methyl (3S)-1-(3,4-difluorobenzoyl)piperidine-3-carboxylate
CID 78919478
N-[1-(5-amino-2,4-difluorobenzoyl)piperidin-3-yl]acetamide
CID 61108163
N-[(3S)-1-(4-pyrimidin-2-ylbenzoyl)piperidin-3-yl]acetamide
CID 126424676
[3-(3,4-difluoroanilino)piperidin-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 24791780
N-[(3S)-1-(3-fluorobenzoyl)pyrrolidin-3-yl]acetamide
CID 95051606
N-[(3R)-1-(3-fluorobenzoyl)pyrrolidin-3-yl]acetamide
CID 95051605
N-[1-(3-amino-4-fluorobenzoyl)piperidin-4-yl]acetamide
CID 115738808
(3,4-difluorophenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 110749741

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-difluorobenzoyl)piperidin-3-yl]acetamide?
The IUPAC name of N-[1-(3,4-difluorobenzoyl)piperidin-3-yl]acetamide (CID 47250997) is N-[1-(3,4-difluorobenzoyl)piperidin-3-yl]acetamide.
What is the SMILES notation for N-[1-(3,4-difluorobenzoyl)piperidin-3-yl]acetamide?
The canonical SMILES for N-[1-(3,4-difluorobenzoyl)piperidin-3-yl]acetamide is CC(=O)NC1CCCN(C(=O)c2ccc(F)c(F)c2)C1.
What is the InChIKey of N-[1-(3,4-difluorobenzoyl)piperidin-3-yl]acetamide?
The InChIKey is GNIZYAAAAIACQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N2O2/c1-9(19)17-11-3-2-6-18(8-11)14(20)10-4-5-12(15)13(16)7-10/h4-5,7,11H,2-3,6,8H2,1H3,(H,17,19).
What are the key properties of N-[1-(3,4-difluorobenzoyl)piperidin-3-yl]acetamide?
N-[1-(3,4-difluorobenzoyl)piperidin-3-yl]acetamide has a molecular weight of 282.29 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-difluorobenzoyl)piperidin-3-yl]acetamide is sourced from PubChem (CID 47250997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).