3-fluoro-4-piperidin-4-yl-N-propan-2-ylbenzamide

C15H21FN2O — CID 169452672

IUPAC3-fluoro-4-piperidin-4-yl-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccc(C2CCNCC2)c(F)c1
InChIInChI=1S/C15H21FN2O/c1-10(2)18-15(19)12-3-4-13(14(16)9-12)11-5-7-17-8-6-11/h3-4,9-11,17H,5-8H2,1-2H3,(H,18,19)
InChIKeyAGOFLUFAGJIOBH-UHFFFAOYSA-N
MW264.34 g/mol
LogP2.43
Rot. Bonds3

About 3-fluoro-4-piperidin-4-yl-N-propan-2-ylbenzamide

3-fluoro-4-piperidin-4-yl-N-propan-2-ylbenzamide (PubChem CID 169452672) has the molecular formula C15H21FN2O and a molecular weight of 264.34 g/mol. Its IUPAC name is 3-fluoro-4-piperidin-4-yl-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name3-fluoro-4-piperidin-4-yl-N-propan-2-ylbenzamide
PubChem CID169452672
Molecular FormulaC15H21FN2O
Molecular Weight264.34 g/mol
Exact Mass264.16
IUPAC Name3-fluoro-4-piperidin-4-yl-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccc(C2CCNCC2)c(F)c1
InChIInChI=1S/C15H21FN2O/c1-10(2)18-15(19)12-3-4-13(14(16)9-12)11-5-7-17-8-6-11/h3-4,9-11,17H,5-8H2,1-2H3,(H,18,19)
InChIKeyAGOFLUFAGJIOBH-UHFFFAOYSA-N
XLogP2.43
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-N-(2-methylpropyl)-4-piperidin-4-ylbenzamide;hydrochloride
CID 169452677
N-ethyl-3-fluoro-4-piperidin-4-ylbenzamide
CID 169452670
3,4-difluoro-N-(1-pyrrolidin-3-ylethyl)benzamide
CID 113360884
4-fluoro-3-methoxy-N-(1-piperidin-4-ylethyl)benzamide
CID 81283731
N-cyclopropyl-4-fluoro-3-piperidin-4-ylbenzamide;hydrochloride
CID 169452700
3-piperidin-3-yl-N-propan-2-ylbenzamide;hydrochloride
CID 172654397
4-(2-fluoro-4-methoxyphenyl)piperidine;hydrochloride
CID 134691223
3-piperidin-4-yl-N-propan-2-yl-5-(trifluoromethoxy)benzamide;hydrochloride
CID 166176261
3,4,5-trifluoro-N-propan-2-ylbenzamide
CID 63187718
4-ethenyl-3-fluoro-N-propan-2-ylbenzamide
CID 154814881
N-(4-fluoro-3-piperidin-4-ylphenyl)-2-methylpropanamide
CID 18446873
3-methyl-4-(3-piperidin-4-ylbutanoylamino)-N-propan-2-ylbenzamide
CID 119743545

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-piperidin-4-yl-N-propan-2-ylbenzamide?
The IUPAC name of 3-fluoro-4-piperidin-4-yl-N-propan-2-ylbenzamide (CID 169452672) is 3-fluoro-4-piperidin-4-yl-N-propan-2-ylbenzamide.
What is the SMILES notation for 3-fluoro-4-piperidin-4-yl-N-propan-2-ylbenzamide?
The canonical SMILES for 3-fluoro-4-piperidin-4-yl-N-propan-2-ylbenzamide is CC(C)NC(=O)c1ccc(C2CCNCC2)c(F)c1.
What is the InChIKey of 3-fluoro-4-piperidin-4-yl-N-propan-2-ylbenzamide?
The InChIKey is AGOFLUFAGJIOBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O/c1-10(2)18-15(19)12-3-4-13(14(16)9-12)11-5-7-17-8-6-11/h3-4,9-11,17H,5-8H2,1-2H3,(H,18,19).
What are the key properties of 3-fluoro-4-piperidin-4-yl-N-propan-2-ylbenzamide?
3-fluoro-4-piperidin-4-yl-N-propan-2-ylbenzamide has a molecular weight of 264.34 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-piperidin-4-yl-N-propan-2-ylbenzamide is sourced from PubChem (CID 169452672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).