N-[[(3R)-1-(2,4-difluorobenzoyl)piperidin-3-yl]methyl]-2-methylpropanamide

C17H22F2N2O2 — CID 95320812

IUPACN-[[(3R)-1-(2,4-difluorobenzoyl)piperidin-3-yl]methyl]-2-methylpropanamide
SMILESCC(C)C(=O)NC[C@H]1CCCN(C(=O)c2ccc(F)cc2F)C1
InChIInChI=1S/C17H22F2N2O2/c1-11(2)16(22)20-9-12-4-3-7-21(10-12)17(23)14-6-5-13(18)8-15(14)19/h5-6,8,11-12H,3-4,7,9-10H2,1-2H3,(H,20,22)/t12-/m1/s1
InChIKeyFYCKAOPEKSMTJU-GFCCVEGCSA-N
MW324.37 g/mol
LogP2.59
Rot. Bonds4

About N-[[(3R)-1-(2,4-difluorobenzoyl)piperidin-3-yl]methyl]-2-methylpropanamide

N-[[(3R)-1-(2,4-difluorobenzoyl)piperidin-3-yl]methyl]-2-methylpropanamide (PubChem CID 95320812) has the molecular formula C17H22F2N2O2 and a molecular weight of 324.37 g/mol. Its IUPAC name is N-[[(3R)-1-(2,4-difluorobenzoyl)piperidin-3-yl]methyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[[(3R)-1-(2,4-difluorobenzoyl)piperidin-3-yl]methyl]-2-methylpropanamide
PubChem CID95320812
Molecular FormulaC17H22F2N2O2
Molecular Weight324.37 g/mol
Exact Mass324.16
IUPAC NameN-[[(3R)-1-(2,4-difluorobenzoyl)piperidin-3-yl]methyl]-2-methylpropanamide
SMILESCC(C)C(=O)NC[C@H]1CCCN(C(=O)c2ccc(F)cc2F)C1
InChIInChI=1S/C17H22F2N2O2/c1-11(2)16(22)20-9-12-4-3-7-21(10-12)17(23)14-6-5-13(18)8-15(14)19/h5-6,8,11-12H,3-4,7,9-10H2,1-2H3,(H,20,22)/t12-/m1/s1
InChIKeyFYCKAOPEKSMTJU-GFCCVEGCSA-N
XLogP2.59
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.37
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[(3R)-1-(2,6-difluorobenzoyl)piperidin-3-yl]methyl]-2-methylpropanamide
CID 95297629
(4-chloro-2-fluorophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119395341
N-[[(3R)-1-(2-methoxybenzoyl)piperidin-3-yl]methyl]-2-methylpropanamide
CID 95295492
[3-(aminomethyl)piperidin-1-yl]-(2,4-difluorophenyl)methanone;hydrochloride
CID 119465009
[1-(2,4-difluorobenzoyl)piperidin-4-yl]-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119396579
(4-bromo-2-fluorophenyl)-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]methanone
CID 63241370
N-[[(3S)-1-(2-chloro-6-fluorobenzoyl)piperidin-3-yl]methyl]-2-methylpropanamide
CID 95315280
(2-fluoro-4-methylphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119397919
(2-chloro-4-fluorophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 61205270
N-[[(3R)-1-(2,3-dimethoxybenzoyl)piperidin-3-yl]methyl]-2-methylpropanamide
CID 94821251
5-[3-[(2-methylpropanoylamino)methyl]piperidine-1-carbonyl]thiophene-2-carboxylic acid
CID 119183250
(2-fluoro-4-methoxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 103804906

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-(2,4-difluorobenzoyl)piperidin-3-yl]methyl]-2-methylpropanamide?
The IUPAC name of N-[[(3R)-1-(2,4-difluorobenzoyl)piperidin-3-yl]methyl]-2-methylpropanamide (CID 95320812) is N-[[(3R)-1-(2,4-difluorobenzoyl)piperidin-3-yl]methyl]-2-methylpropanamide.
What is the SMILES notation for N-[[(3R)-1-(2,4-difluorobenzoyl)piperidin-3-yl]methyl]-2-methylpropanamide?
The canonical SMILES for N-[[(3R)-1-(2,4-difluorobenzoyl)piperidin-3-yl]methyl]-2-methylpropanamide is CC(C)C(=O)NC[C@H]1CCCN(C(=O)c2ccc(F)cc2F)C1.
What is the InChIKey of N-[[(3R)-1-(2,4-difluorobenzoyl)piperidin-3-yl]methyl]-2-methylpropanamide?
The InChIKey is FYCKAOPEKSMTJU-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H22F2N2O2/c1-11(2)16(22)20-9-12-4-3-7-21(10-12)17(23)14-6-5-13(18)8-15(14)19/h5-6,8,11-12H,3-4,7,9-10H2,1-2H3,(H,20,22)/t12-/m1/s1.
What are the key properties of N-[[(3R)-1-(2,4-difluorobenzoyl)piperidin-3-yl]methyl]-2-methylpropanamide?
N-[[(3R)-1-(2,4-difluorobenzoyl)piperidin-3-yl]methyl]-2-methylpropanamide has a molecular weight of 324.37 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-(2,4-difluorobenzoyl)piperidin-3-yl]methyl]-2-methylpropanamide is sourced from PubChem (CID 95320812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).