N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-3-piperidin-3-ylbutanamide

C18H27FN2O3 — CID 119751711

IUPACN-[3-(4-fluorophenoxy)-2-hydroxypropyl]-3-piperidin-3-ylbutanamide
SMILESCC(CC(=O)NCC(O)COc1ccc(F)cc1)C1CCCNC1
InChIInChI=1S/C18H27FN2O3/c1-13(14-3-2-8-20-10-14)9-18(23)21-11-16(22)12-24-17-6-4-15(19)5-7-17/h4-7,13-14,16,20,22H,2-3,8-12H2,1H3,(H,21,23)
InChIKeyMQHYQZHZZGBQKW-UHFFFAOYSA-N
MW338.42 g/mol
LogP1.71
Rot. Bonds8

About N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-3-piperidin-3-ylbutanamide

N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-3-piperidin-3-ylbutanamide (PubChem CID 119751711) has the molecular formula C18H27FN2O3 and a molecular weight of 338.42 g/mol. Its IUPAC name is N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-3-piperidin-3-ylbutanamide.

Molecular Properties

Compound NameN-[3-(4-fluorophenoxy)-2-hydroxypropyl]-3-piperidin-3-ylbutanamide
PubChem CID119751711
Molecular FormulaC18H27FN2O3
Molecular Weight338.42 g/mol
Exact Mass338.20
IUPAC NameN-[3-(4-fluorophenoxy)-2-hydroxypropyl]-3-piperidin-3-ylbutanamide
SMILESCC(CC(=O)NCC(O)COc1ccc(F)cc1)C1CCCNC1
InChIInChI=1S/C18H27FN2O3/c1-13(14-3-2-8-20-10-14)9-18(23)21-11-16(22)12-24-17-6-4-15(19)5-7-17/h4-7,13-14,16,20,22H,2-3,8-12H2,1H3,(H,21,23)
InChIKeyMQHYQZHZZGBQKW-UHFFFAOYSA-N
XLogP1.71
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(4-fluorophenoxy)-2-hydroxypropyl]piperidine-3-carboxamide
CID 119305008
N-[3-(4-methylphenoxy)propyl]-3-piperidin-3-ylbutanamide
CID 119757253
N-[4-(4-methylphenoxy)butyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119722670
N-[6-(4-fluorophenoxy)-3-pyridinyl]-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119849091
N-[[1-(4-fluorophenyl)cyclobutyl]methyl]-3-piperidin-3-ylbutanamide
CID 119761175
N-[2-(3-fluoro-4-methylphenyl)-2-hydroxyethyl]-3-piperidin-3-ylbutanamide
CID 155960793
N-[(4-phenylmethoxyphenyl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119712153
N-(2-methylbutyl)-3-piperidin-3-ylbutanamide
CID 81043770
N-(2-ethoxypropyl)-3-piperidin-3-ylbutanamide
CID 115739458
N-[3-(2-methylpropoxy)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119714898
N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3-piperidin-3-ylbutanamide
CID 119829702
N-(2,4-difluorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119673275

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-3-piperidin-3-ylbutanamide?
The IUPAC name of N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-3-piperidin-3-ylbutanamide (CID 119751711) is N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-3-piperidin-3-ylbutanamide.
What is the SMILES notation for N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-3-piperidin-3-ylbutanamide?
The canonical SMILES for N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-3-piperidin-3-ylbutanamide is CC(CC(=O)NCC(O)COc1ccc(F)cc1)C1CCCNC1.
What is the InChIKey of N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-3-piperidin-3-ylbutanamide?
The InChIKey is MQHYQZHZZGBQKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN2O3/c1-13(14-3-2-8-20-10-14)9-18(23)21-11-16(22)12-24-17-6-4-15(19)5-7-17/h4-7,13-14,16,20,22H,2-3,8-12H2,1H3,(H,21,23).
What are the key properties of N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-3-piperidin-3-ylbutanamide?
N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-3-piperidin-3-ylbutanamide has a molecular weight of 338.42 g/mol, XLogP of 1.71, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-3-piperidin-3-ylbutanamide is sourced from PubChem (CID 119751711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).