(2S)-N-[(4-fluorophenyl)methyl]-2-[(3S)-3-methylpiperidin-1-yl]propanamide

C16H23FN2O — CID 9275580

IUPAC(2S)-N-[(4-fluorophenyl)methyl]-2-[(3S)-3-methylpiperidin-1-yl]propanamide
SMILESC[C@H]1CCCN([C@@H](C)C(=O)NCc2ccc(F)cc2)C1
InChIInChI=1S/C16H23FN2O/c1-12-4-3-9-19(11-12)13(2)16(20)18-10-14-5-7-15(17)8-6-14/h5-8,12-13H,3-4,9-11H2,1-2H3,(H,18,20)/t12-,13-/m0/s1
InChIKeyMZAGRTNKJQSFGX-STQMWFEESA-N
MW278.37 g/mol
LogP2.56
Rot. Bonds4

About (2S)-N-[(4-fluorophenyl)methyl]-2-[(3S)-3-methylpiperidin-1-yl]propanamide

(2S)-N-[(4-fluorophenyl)methyl]-2-[(3S)-3-methylpiperidin-1-yl]propanamide (PubChem CID 9275580) has the molecular formula C16H23FN2O and a molecular weight of 278.37 g/mol. Its IUPAC name is (2S)-N-[(4-fluorophenyl)methyl]-2-[(3S)-3-methylpiperidin-1-yl]propanamide.

Molecular Properties

Compound Name(2S)-N-[(4-fluorophenyl)methyl]-2-[(3S)-3-methylpiperidin-1-yl]propanamide
PubChem CID9275580
Molecular FormulaC16H23FN2O
Molecular Weight278.37 g/mol
Exact Mass278.18
IUPAC Name(2S)-N-[(4-fluorophenyl)methyl]-2-[(3S)-3-methylpiperidin-1-yl]propanamide
SMILESC[C@H]1CCCN([C@@H](C)C(=O)NCc2ccc(F)cc2)C1
InChIInChI=1S/C16H23FN2O/c1-12-4-3-9-19(11-12)13(2)16(20)18-10-14-5-7-15(17)8-6-14/h5-8,12-13H,3-4,9-11H2,1-2H3,(H,18,20)/t12-,13-/m0/s1
InChIKeyMZAGRTNKJQSFGX-STQMWFEESA-N
XLogP2.56
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-[(4-fluorophenyl)methyl]-2-[4-[(2R)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]piperazin-1-yl]propanamide
CID 30958923
N-[(4-fluorophenyl)methyl]-2-(3-methylpiperidin-1-yl)-2-oxoacetamide
CID 108523035
N-(2,5-difluorophenyl)-2-(3-methylpiperidin-1-yl)propanamide
CID 46630906
N-(2-chloro-4-fluorophenyl)-2-(3-methylpiperidin-1-yl)propanamide
CID 42911884
(2S)-2-(azepan-1-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 94697489
(2S)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[(4-fluorophenyl)methyl]propanamide
CID 41367549
(2S)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[(3R)-3-methylpiperidin-1-yl]propanamide
CID 25466162
N-[(4-fluorophenyl)methyl]-2-[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]propanamide
CID 86953469
4-[[2-[3-(fluoromethyl)pyrrolidin-1-yl]propanoylamino]methyl]benzoic acid
CID 138028757
N-[(4-fluorophenyl)methyl]-2-[4-(furan-2-ylmethyl)piperazin-1-yl]propanamide
CID 46674028
2-[3-(methylamino)piperidin-1-yl]-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
CID 119919543
ethyl N-[1-[1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl]piperidin-3-yl]carbamate
CID 86993293

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(4-fluorophenyl)methyl]-2-[(3S)-3-methylpiperidin-1-yl]propanamide?
The IUPAC name of (2S)-N-[(4-fluorophenyl)methyl]-2-[(3S)-3-methylpiperidin-1-yl]propanamide (CID 9275580) is (2S)-N-[(4-fluorophenyl)methyl]-2-[(3S)-3-methylpiperidin-1-yl]propanamide.
What is the SMILES notation for (2S)-N-[(4-fluorophenyl)methyl]-2-[(3S)-3-methylpiperidin-1-yl]propanamide?
The canonical SMILES for (2S)-N-[(4-fluorophenyl)methyl]-2-[(3S)-3-methylpiperidin-1-yl]propanamide is C[C@H]1CCCN([C@@H](C)C(=O)NCc2ccc(F)cc2)C1.
What is the InChIKey of (2S)-N-[(4-fluorophenyl)methyl]-2-[(3S)-3-methylpiperidin-1-yl]propanamide?
The InChIKey is MZAGRTNKJQSFGX-STQMWFEESA-N. The full InChI is InChI=1S/C16H23FN2O/c1-12-4-3-9-19(11-12)13(2)16(20)18-10-14-5-7-15(17)8-6-14/h5-8,12-13H,3-4,9-11H2,1-2H3,(H,18,20)/t12-,13-/m0/s1.
What are the key properties of (2S)-N-[(4-fluorophenyl)methyl]-2-[(3S)-3-methylpiperidin-1-yl]propanamide?
(2S)-N-[(4-fluorophenyl)methyl]-2-[(3S)-3-methylpiperidin-1-yl]propanamide has a molecular weight of 278.37 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(4-fluorophenyl)methyl]-2-[(3S)-3-methylpiperidin-1-yl]propanamide is sourced from PubChem (CID 9275580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).