N-(5-fluoro-2-methylphenyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]propanamide

C17H25FN2O2 — CID 111114110

IUPACN-(5-fluoro-2-methylphenyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]propanamide
SMILESCc1ccc(F)cc1NC(=O)C(C)N1CCC(C(C)O)CC1
InChIInChI=1S/C17H25FN2O2/c1-11-4-5-15(18)10-16(11)19-17(22)12(2)20-8-6-14(7-9-20)13(3)21/h4-5,10,12-14,21H,6-9H2,1-3H3,(H,19,22)
InChIKeyYTSTWPLGRKEHBN-UHFFFAOYSA-N
MW308.40 g/mol
LogP2.55
Rot. Bonds4

About N-(5-fluoro-2-methylphenyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]propanamide

N-(5-fluoro-2-methylphenyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]propanamide (PubChem CID 111114110) has the molecular formula C17H25FN2O2 and a molecular weight of 308.40 g/mol. Its IUPAC name is N-(5-fluoro-2-methylphenyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]propanamide.

Molecular Properties

Compound NameN-(5-fluoro-2-methylphenyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]propanamide
PubChem CID111114110
Molecular FormulaC17H25FN2O2
Molecular Weight308.40 g/mol
Exact Mass308.19
IUPAC NameN-(5-fluoro-2-methylphenyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]propanamide
SMILESCc1ccc(F)cc1NC(=O)C(C)N1CCC(C(C)O)CC1
InChIInChI=1S/C17H25FN2O2/c1-11-4-5-15(18)10-16(11)19-17(22)12(2)20-8-6-14(7-9-20)13(3)21/h4-5,10,12-14,21H,6-9H2,1-3H3,(H,19,22)
InChIKeyYTSTWPLGRKEHBN-UHFFFAOYSA-N
XLogP2.55
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,5-dimethylphenyl)-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]propanamide
CID 110020032
1-[1-(5-fluoro-2-methylanilino)-1-oxopropan-2-yl]pyrrolidine-3-carboxylic acid;hydrochloride
CID 119904101
N-(3,4-dimethylphenyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]propanamide
CID 111113847
N-(5-chloro-2-hydroxyphenyl)-1-[1-(5-fluoro-2-methylanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 60511702
N-(2,4-dichlorophenyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]propanamide
CID 111114146
N-(2,5-dimethylphenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]propanamide
CID 110891637
(2R)-N-(5-chloro-2-methylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 9431500
N-(5-amino-2-methylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide;dihydrochloride
CID 120569030
(3S,4S)-1-[1-(5-fluoro-2-methylanilino)-1-oxopropan-2-yl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 120954280
(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(5-fluoro-2-methylphenyl)propanamide
CID 37057679
1-[1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid
CID 119908247
(2R)-N-(2,5-dimethylphenyl)-2-[4-(4-fluorobenzoyl)piperazin-1-yl]propanamide
CID 36877338

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-methylphenyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]propanamide?
The IUPAC name of N-(5-fluoro-2-methylphenyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]propanamide (CID 111114110) is N-(5-fluoro-2-methylphenyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]propanamide.
What is the SMILES notation for N-(5-fluoro-2-methylphenyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]propanamide?
The canonical SMILES for N-(5-fluoro-2-methylphenyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]propanamide is Cc1ccc(F)cc1NC(=O)C(C)N1CCC(C(C)O)CC1.
What is the InChIKey of N-(5-fluoro-2-methylphenyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]propanamide?
The InChIKey is YTSTWPLGRKEHBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O2/c1-11-4-5-15(18)10-16(11)19-17(22)12(2)20-8-6-14(7-9-20)13(3)21/h4-5,10,12-14,21H,6-9H2,1-3H3,(H,19,22).
What are the key properties of N-(5-fluoro-2-methylphenyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]propanamide?
N-(5-fluoro-2-methylphenyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]propanamide has a molecular weight of 308.40 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-methylphenyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]propanamide is sourced from PubChem (CID 111114110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).