N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]-3-piperidin-4-ylpropanamide

C17H25FN2O — CID 124517249

IUPACN-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]-3-piperidin-4-ylpropanamide
SMILESCc1ccc([C@H](C)NC(=O)CCC2CCNCC2)cc1F
InChIInChI=1S/C17H25FN2O/c1-12-3-5-15(11-16(12)18)13(2)20-17(21)6-4-14-7-9-19-10-8-14/h3,5,11,13-14,19H,4,6-10H2,1-2H3,(H,20,21)/t13-/m0/s1
InChIKeyYXOSGSTZDIHGHW-ZDUSSCGKSA-N
MW292.40 g/mol
LogP3.09
Rot. Bonds5

About N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]-3-piperidin-4-ylpropanamide

N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]-3-piperidin-4-ylpropanamide (PubChem CID 124517249) has the molecular formula C17H25FN2O and a molecular weight of 292.40 g/mol. Its IUPAC name is N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]-3-piperidin-4-ylpropanamide.

Molecular Properties

Compound NameN-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]-3-piperidin-4-ylpropanamide
PubChem CID124517249
Molecular FormulaC17H25FN2O
Molecular Weight292.40 g/mol
Exact Mass292.20
IUPAC NameN-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]-3-piperidin-4-ylpropanamide
SMILESCc1ccc([C@H](C)NC(=O)CCC2CCNCC2)cc1F
InChIInChI=1S/C17H25FN2O/c1-12-3-5-15(11-16(12)18)13(2)20-17(21)6-4-14-7-9-19-10-8-14/h3,5,11,13-14,19H,4,6-10H2,1-2H3,(H,20,21)/t13-/m0/s1
InChIKeyYXOSGSTZDIHGHW-ZDUSSCGKSA-N
XLogP3.09
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3-fluoro-4-methylphenyl)ethyl]-3-(oxolan-2-yl)propanamide
CID 71856408
N-[1-(4-cyanophenyl)ethyl]-3-piperidin-4-ylpropanamide
CID 62212277
3-piperidin-4-yl-N-[(1S)-1-pyridin-4-ylethyl]propanamide
CID 81409978
N-[1-(3-fluoro-4-methylphenyl)ethyl]-3-sulfanylpropanamide
CID 107032695
3-piperidin-4-yl-N-(1-thiophen-3-ylethyl)propanamide
CID 62844393
N-[1-(3-fluoro-4-methylphenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120637838
N-[1-(3,4-difluorophenyl)ethyl]-2-piperidin-4-ylsulfanylacetamide
CID 114626722
N-[1-(4-chlorophenyl)propyl]-3-piperidin-4-ylpropanamide
CID 62211240
N-[(1S)-1-(2-chlorophenyl)ethyl]-3-piperidin-4-ylpropanamide
CID 81379365
(2S,4S)-N-[1-(3-fluoro-4-methylphenyl)ethyl]-2-methylpiperidine-4-carboxamide
CID 120637835
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-piperidin-4-ylacetamide
CID 81354078
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-piperidin-4-ylacetamide
CID 81354394

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]-3-piperidin-4-ylpropanamide?
The IUPAC name of N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]-3-piperidin-4-ylpropanamide (CID 124517249) is N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]-3-piperidin-4-ylpropanamide.
What is the SMILES notation for N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]-3-piperidin-4-ylpropanamide?
The canonical SMILES for N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]-3-piperidin-4-ylpropanamide is Cc1ccc([C@H](C)NC(=O)CCC2CCNCC2)cc1F.
What is the InChIKey of N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]-3-piperidin-4-ylpropanamide?
The InChIKey is YXOSGSTZDIHGHW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H25FN2O/c1-12-3-5-15(11-16(12)18)13(2)20-17(21)6-4-14-7-9-19-10-8-14/h3,5,11,13-14,19H,4,6-10H2,1-2H3,(H,20,21)/t13-/m0/s1.
What are the key properties of N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]-3-piperidin-4-ylpropanamide?
N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]-3-piperidin-4-ylpropanamide has a molecular weight of 292.40 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]-3-piperidin-4-ylpropanamide is sourced from PubChem (CID 124517249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).