N-[2-(3-fluoro-4-methylphenyl)-2-hydroxyethyl]-3-piperidin-3-ylbutanamide

C18H27FN2O2 — CID 155960793

IUPACN-[2-(3-fluoro-4-methylphenyl)-2-hydroxyethyl]-3-piperidin-3-ylbutanamide
SMILESCc1ccc(C(O)CNC(=O)CC(C)C2CCCNC2)cc1F
InChIInChI=1S/C18H27FN2O2/c1-12-5-6-14(9-16(12)19)17(22)11-21-18(23)8-13(2)15-4-3-7-20-10-15/h5-6,9,13,15,17,20,22H,3-4,7-8,10-11H2,1-2H3,(H,21,23)
InChIKeyLKLXJNRBGWRDCH-UHFFFAOYSA-N
MW322.42 g/mol
LogP2.31
Rot. Bonds6

About N-[2-(3-fluoro-4-methylphenyl)-2-hydroxyethyl]-3-piperidin-3-ylbutanamide

N-[2-(3-fluoro-4-methylphenyl)-2-hydroxyethyl]-3-piperidin-3-ylbutanamide (PubChem CID 155960793) has the molecular formula C18H27FN2O2 and a molecular weight of 322.42 g/mol. Its IUPAC name is N-[2-(3-fluoro-4-methylphenyl)-2-hydroxyethyl]-3-piperidin-3-ylbutanamide.

Molecular Properties

Compound NameN-[2-(3-fluoro-4-methylphenyl)-2-hydroxyethyl]-3-piperidin-3-ylbutanamide
PubChem CID155960793
Molecular FormulaC18H27FN2O2
Molecular Weight322.42 g/mol
Exact Mass322.21
IUPAC NameN-[2-(3-fluoro-4-methylphenyl)-2-hydroxyethyl]-3-piperidin-3-ylbutanamide
SMILESCc1ccc(C(O)CNC(=O)CC(C)C2CCCNC2)cc1F
InChIInChI=1S/C18H27FN2O2/c1-12-5-6-14(9-16(12)19)17(22)11-21-18(23)8-13(2)15-4-3-7-20-10-15/h5-6,9,13,15,17,20,22H,3-4,7-8,10-11H2,1-2H3,(H,21,23)
InChIKeyLKLXJNRBGWRDCH-UHFFFAOYSA-N
XLogP2.31
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.42
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3,4-difluorophenyl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119686367
N-[(3,4-difluorophenyl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119705537
N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-3-piperidin-3-ylbutanamide
CID 119751711
N-[1-(3-chloro-4-fluorophenyl)ethyl]-3-piperidin-3-ylbutanamide
CID 119745659
N-(3,3-diphenylpropyl)-3-piperidin-3-ylbutanamide
CID 119675917
N-[2-(2-methylphenyl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119688188
N-(2-methylbutyl)-3-piperidin-3-ylbutanamide
CID 81043770
N-(2-ethoxypropyl)-3-piperidin-3-ylbutanamide
CID 115739458
N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-3-piperidin-3-ylbutanamide;hydrochloride
CID 119701530
N-[2-(4-chlorophenoxy)ethyl]-3-piperidin-3-ylbutanamide
CID 119690043
N-[3-(4-methylphenoxy)propyl]-3-piperidin-3-ylbutanamide
CID 119757253
N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-3-piperidin-3-ylbutanamide
CID 119886350

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluoro-4-methylphenyl)-2-hydroxyethyl]-3-piperidin-3-ylbutanamide?
The IUPAC name of N-[2-(3-fluoro-4-methylphenyl)-2-hydroxyethyl]-3-piperidin-3-ylbutanamide (CID 155960793) is N-[2-(3-fluoro-4-methylphenyl)-2-hydroxyethyl]-3-piperidin-3-ylbutanamide.
What is the SMILES notation for N-[2-(3-fluoro-4-methylphenyl)-2-hydroxyethyl]-3-piperidin-3-ylbutanamide?
The canonical SMILES for N-[2-(3-fluoro-4-methylphenyl)-2-hydroxyethyl]-3-piperidin-3-ylbutanamide is Cc1ccc(C(O)CNC(=O)CC(C)C2CCCNC2)cc1F.
What is the InChIKey of N-[2-(3-fluoro-4-methylphenyl)-2-hydroxyethyl]-3-piperidin-3-ylbutanamide?
The InChIKey is LKLXJNRBGWRDCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN2O2/c1-12-5-6-14(9-16(12)19)17(22)11-21-18(23)8-13(2)15-4-3-7-20-10-15/h5-6,9,13,15,17,20,22H,3-4,7-8,10-11H2,1-2H3,(H,21,23).
What are the key properties of N-[2-(3-fluoro-4-methylphenyl)-2-hydroxyethyl]-3-piperidin-3-ylbutanamide?
N-[2-(3-fluoro-4-methylphenyl)-2-hydroxyethyl]-3-piperidin-3-ylbutanamide has a molecular weight of 322.42 g/mol, XLogP of 2.31, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluoro-4-methylphenyl)-2-hydroxyethyl]-3-piperidin-3-ylbutanamide is sourced from PubChem (CID 155960793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).