N-(2-fluorophenyl)-3-oxo-3-piperidin-1-ylpropanamide

C14H17FN2O2 — CID 108942414

IUPACN-(2-fluorophenyl)-3-oxo-3-piperidin-1-ylpropanamide
SMILESO=C(CC(=O)N1CCCCC1)Nc1ccccc1F
InChIInChI=1S/C14H17FN2O2/c15-11-6-2-3-7-12(11)16-13(18)10-14(19)17-8-4-1-5-9-17/h2-3,6-7H,1,4-5,8-10H2,(H,16,18)
InChIKeySMBISVBDRCFSKY-UHFFFAOYSA-N
MW264.30 g/mol
LogP2.17
Rot. Bonds3

About N-(2-fluorophenyl)-3-oxo-3-piperidin-1-ylpropanamide

N-(2-fluorophenyl)-3-oxo-3-piperidin-1-ylpropanamide (PubChem CID 108942414) has the molecular formula C14H17FN2O2 and a molecular weight of 264.30 g/mol. Its IUPAC name is N-(2-fluorophenyl)-3-oxo-3-piperidin-1-ylpropanamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-3-oxo-3-piperidin-1-ylpropanamide
PubChem CID108942414
Molecular FormulaC14H17FN2O2
Molecular Weight264.30 g/mol
Exact Mass264.13
IUPAC NameN-(2-fluorophenyl)-3-oxo-3-piperidin-1-ylpropanamide
SMILESO=C(CC(=O)N1CCCCC1)Nc1ccccc1F
InChIInChI=1S/C14H17FN2O2/c15-11-6-2-3-7-12(11)16-13(18)10-14(19)17-8-4-1-5-9-17/h2-3,6-7H,1,4-5,8-10H2,(H,16,18)
InChIKeySMBISVBDRCFSKY-UHFFFAOYSA-N
XLogP2.17
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-(2-fluorophenyl)-3-(4-formylpiperazin-1-yl)-3-oxopropanamide
CID 108944765
3-oxo-3-piperidin-1-yl-N-(2-propan-2-ylphenyl)propanamide
CID 108942407
3-oxo-N-(2-propan-2-ylphenyl)-3-pyrrolidin-1-ylpropanamide
CID 108942028
3-oxo-N-(2-phenoxyphenyl)-3-piperidin-1-ylpropanamide
CID 108942475
3-(azepan-1-yl)-3-oxo-N-(2-phenoxyphenyl)propanamide
CID 108952746
N-(2-chlorophenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropanamide
CID 108950699
N-(2-fluorophenyl)-3-piperidin-1-ylpropanamide;oxalic acid
CID 171154607
3-oxo-N-(2-propan-2-yloxyphenyl)-3-pyrrolidin-1-ylpropanamide
CID 108942056
N-(2-fluorophenyl)-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]sulfanylacetamide
CID 20902403
N-[(2-fluorophenyl)carbamoyl]-2-piperidin-1-ylacetamide
CID 8894654
N-(2-fluorophenyl)-4-(piperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109146012
N-(2-ethylphenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropanamide
CID 108950686

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-3-oxo-3-piperidin-1-ylpropanamide?
The IUPAC name of N-(2-fluorophenyl)-3-oxo-3-piperidin-1-ylpropanamide (CID 108942414) is N-(2-fluorophenyl)-3-oxo-3-piperidin-1-ylpropanamide.
What is the SMILES notation for N-(2-fluorophenyl)-3-oxo-3-piperidin-1-ylpropanamide?
The canonical SMILES for N-(2-fluorophenyl)-3-oxo-3-piperidin-1-ylpropanamide is O=C(CC(=O)N1CCCCC1)Nc1ccccc1F.
What is the InChIKey of N-(2-fluorophenyl)-3-oxo-3-piperidin-1-ylpropanamide?
The InChIKey is SMBISVBDRCFSKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O2/c15-11-6-2-3-7-12(11)16-13(18)10-14(19)17-8-4-1-5-9-17/h2-3,6-7H,1,4-5,8-10H2,(H,16,18).
What are the key properties of N-(2-fluorophenyl)-3-oxo-3-piperidin-1-ylpropanamide?
N-(2-fluorophenyl)-3-oxo-3-piperidin-1-ylpropanamide has a molecular weight of 264.30 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-3-oxo-3-piperidin-1-ylpropanamide is sourced from PubChem (CID 108942414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).