N-[1-[2-(2-fluorophenyl)-2-methylpropanoyl]piperidin-3-yl]-2-methylpropanamide

C19H27FN2O2 — CID 136580259

IUPACN-[1-[2-(2-fluorophenyl)-2-methylpropanoyl]piperidin-3-yl]-2-methylpropanamide
SMILESCC(C)C(=O)NC1CCCN(C(=O)C(C)(C)c2ccccc2F)C1
InChIInChI=1S/C19H27FN2O2/c1-13(2)17(23)21-14-8-7-11-22(12-14)18(24)19(3,4)15-9-5-6-10-16(15)20/h5-6,9-10,13-14H,7-8,11-12H2,1-4H3,(H,21,23)
InChIKeyLBRRVQFNCSBNMS-UHFFFAOYSA-N
MW334.44 g/mol
LogP2.87
Rot. Bonds4

About N-[1-[2-(2-fluorophenyl)-2-methylpropanoyl]piperidin-3-yl]-2-methylpropanamide

N-[1-[2-(2-fluorophenyl)-2-methylpropanoyl]piperidin-3-yl]-2-methylpropanamide (PubChem CID 136580259) has the molecular formula C19H27FN2O2 and a molecular weight of 334.44 g/mol. Its IUPAC name is N-[1-[2-(2-fluorophenyl)-2-methylpropanoyl]piperidin-3-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[1-[2-(2-fluorophenyl)-2-methylpropanoyl]piperidin-3-yl]-2-methylpropanamide
PubChem CID136580259
Molecular FormulaC19H27FN2O2
Molecular Weight334.44 g/mol
Exact Mass334.21
IUPAC NameN-[1-[2-(2-fluorophenyl)-2-methylpropanoyl]piperidin-3-yl]-2-methylpropanamide
SMILESCC(C)C(=O)NC1CCCN(C(=O)C(C)(C)c2ccccc2F)C1
InChIInChI=1S/C19H27FN2O2/c1-13(2)17(23)21-14-8-7-11-22(12-14)18(24)19(3,4)15-9-5-6-10-16(15)20/h5-6,9-10,13-14H,7-8,11-12H2,1-4H3,(H,21,23)
InChIKeyLBRRVQFNCSBNMS-UHFFFAOYSA-N
XLogP2.87
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3S)-1-(2-fluoro-6-hydroxybenzoyl)piperidin-3-yl]-2-methylpropanamide
CID 99595335
(3S)-1-[2-(2-fluorophenyl)-2-methylpropanoyl]pyrrolidine-3-carboxylic acid
CID 124682167
N-(2-aminoethyl)-1-[2-(2-fluorophenyl)-2-methylpropanoyl]piperidine-3-carboxamide;hydrochloride
CID 119480744
N-[(3R)-1-(2-hydroxybenzoyl)piperidin-3-yl]-2-methylpropanamide
CID 94800761
2-methyl-N-[1-(2-phenylacetyl)piperidin-3-yl]propanamide
CID 127187955
2-methyl-N-[(3R)-1-[(2S)-3-methylsulfanyl-2-phenylpropanoyl]piperidin-3-yl]propanamide
CID 97216590
2-(2-fluorophenyl)-2-methyl-N-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]propanamide
CID 124590209
3-(2-fluorophenyl)-2-methyl-1-[3-(methylamino)piperidin-1-yl]propan-1-one
CID 119493132
2-(2-fluorophenyl)-N-[1-(2-methoxyphenyl)piperidin-3-yl]-2-methylpropanamide
CID 86965751
3-(2-fluorophenyl)-2-methyl-1-[3-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride
CID 119493131
2-methyl-N-[(3S)-1-(1-phenylpyrazole-3-carbonyl)piperidin-3-yl]propanamide
CID 94800796
2-(2-fluorophenyl)-1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-2-methylpropan-1-one
CID 95607274

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(2-fluorophenyl)-2-methylpropanoyl]piperidin-3-yl]-2-methylpropanamide?
The IUPAC name of N-[1-[2-(2-fluorophenyl)-2-methylpropanoyl]piperidin-3-yl]-2-methylpropanamide (CID 136580259) is N-[1-[2-(2-fluorophenyl)-2-methylpropanoyl]piperidin-3-yl]-2-methylpropanamide.
What is the SMILES notation for N-[1-[2-(2-fluorophenyl)-2-methylpropanoyl]piperidin-3-yl]-2-methylpropanamide?
The canonical SMILES for N-[1-[2-(2-fluorophenyl)-2-methylpropanoyl]piperidin-3-yl]-2-methylpropanamide is CC(C)C(=O)NC1CCCN(C(=O)C(C)(C)c2ccccc2F)C1.
What is the InChIKey of N-[1-[2-(2-fluorophenyl)-2-methylpropanoyl]piperidin-3-yl]-2-methylpropanamide?
The InChIKey is LBRRVQFNCSBNMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN2O2/c1-13(2)17(23)21-14-8-7-11-22(12-14)18(24)19(3,4)15-9-5-6-10-16(15)20/h5-6,9-10,13-14H,7-8,11-12H2,1-4H3,(H,21,23).
What are the key properties of N-[1-[2-(2-fluorophenyl)-2-methylpropanoyl]piperidin-3-yl]-2-methylpropanamide?
N-[1-[2-(2-fluorophenyl)-2-methylpropanoyl]piperidin-3-yl]-2-methylpropanamide has a molecular weight of 334.44 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(2-fluorophenyl)-2-methylpropanoyl]piperidin-3-yl]-2-methylpropanamide is sourced from PubChem (CID 136580259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).