N-[(4-fluorophenyl)methyl]-3-[4-(3-hydroxy-2-methylpropoxy)phenyl]-N-(1-methylpiperidin-4-yl)propanamide;N-[(4-fluorophenyl)methyl]-3-(4-hydroxyphenyl)-N-(1-methylpiperidin-4-yl)propanamide;2-methylbutan-1-ol

C53H74F2N4O6 — CID 159016151

IUPACN-[(4-fluorophenyl)methyl]-3-[4-(3-hydroxy-2-methylpropoxy)phenyl]-N-(1-methylpiperidin-4-yl)propanamide;N-[(4-fluorophenyl)methyl]-3-(4-hydroxyphenyl)-N-(1-methylpiperidin-4-yl)propanamide;2-methylbutan-1-ol
SMILESCC(CO)COc1ccc(CCC(=O)N(Cc2ccc(F)cc2)C2CCN(C)CC2)cc1.CCC(C)CO.CN1CCC(N(Cc2ccc(F)cc2)C(=O)CCc2ccc(O)cc2)CC1
InChIInChI=1S/C26H35FN2O3.C22H27FN2O2.C5H12O/c1-20(18-30)19-32-25-10-5-21(6-11-25)7-12-26(31)29(24-13-15-28(2)16-14-24)17-22-3-8-23(27)9-4-22;1-24-14-12-20(13-15-24)25(16-18-2-7-19(23)8-3-18)22(27)11-6-17-4-9-21(26)10-5-17;1-3-5(2)4-6/h3-6,8-11,20,24,30H,7,12-19H2,1-2H3;2-5,7-10,20,26H,6,11-16H2,1H3;5-6H,3-4H2,1-2H3
InChIKeyJTCPWDXEFYADPM-UHFFFAOYSA-N
MW901.19 g/mol
LogP8.50
Rot. Bonds18

About N-[(4-fluorophenyl)methyl]-3-[4-(3-hydroxy-2-methylpropoxy)phenyl]-N-(1-methylpiperidin-4-yl)propanamide;N-[(4-fluorophenyl)methyl]-3-(4-hydroxyphenyl)-N-(1-methylpiperidin-4-yl)propanamide;2-methylbutan-1-ol

N-[(4-fluorophenyl)methyl]-3-[4-(3-hydroxy-2-methylpropoxy)phenyl]-N-(1-methylpiperidin-4-yl)propanamide;N-[(4-fluorophenyl)methyl]-3-(4-hydroxyphenyl)-N-(1-methylpiperidin-4-yl)propanamide;2-methylbutan-1-ol (PubChem CID 159016151) has the molecular formula C53H74F2N4O6 and a molecular weight of 901.19 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-3-[4-(3-hydroxy-2-methylpropoxy)phenyl]-N-(1-methylpiperidin-4-yl)propanamide;N-[(4-fluorophenyl)methyl]-3-(4-hydroxyphenyl)-N-(1-methylpiperidin-4-yl)propanamide;2-methylbutan-1-ol.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-3-[4-(3-hydroxy-2-methylpropoxy)phenyl]-N-(1-methylpiperidin-4-yl)propanamide;N-[(4-fluorophenyl)methyl]-3-(4-hydroxyphenyl)-N-(1-methylpiperidin-4-yl)propanamide;2-methylbutan-1-ol
PubChem CID159016151
Molecular FormulaC53H74F2N4O6
Molecular Weight901.19 g/mol
Exact Mass900.56
IUPAC NameN-[(4-fluorophenyl)methyl]-3-[4-(3-hydroxy-2-methylpropoxy)phenyl]-N-(1-methylpiperidin-4-yl)propanamide;N-[(4-fluorophenyl)methyl]-3-(4-hydroxyphenyl)-N-(1-methylpiperidin-4-yl)propanamide;2-methylbutan-1-ol
SMILESCC(CO)COc1ccc(CCC(=O)N(Cc2ccc(F)cc2)C2CCN(C)CC2)cc1.CCC(C)CO.CN1CCC(N(Cc2ccc(F)cc2)C(=O)CCc2ccc(O)cc2)CC1
InChIInChI=1S/C26H35FN2O3.C22H27FN2O2.C5H12O/c1-20(18-30)19-32-25-10-5-21(6-11-25)7-12-26(31)29(24-13-15-28(2)16-14-24)17-22-3-8-23(27)9-4-22;1-24-14-12-20(13-15-24)25(16-18-2-7-19(23)8-3-18)22(27)11-6-17-4-9-21(26)10-5-17;1-3-5(2)4-6/h3-6,8-11,20,24,30H,7,12-19H2,1-2H3;2-5,7-10,20,26H,6,11-16H2,1H3;5-6H,3-4H2,1-2H3
InChIKeyJTCPWDXEFYADPM-UHFFFAOYSA-N
XLogP8.50
TPSA117.02 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds18
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500901.19
LogP ≤ 58.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

N-[(4-fluorophenyl)methyl]-N-(1-methylpiperidin-4-yl)-3-[4-(2-methylpropoxy)phenyl]propanamide
CID 58478685
methyl 3-[4-[[[(4-fluorophenyl)methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]methyl]phenoxy]-2-methylpropanoate
CID 46909551
1-[(4-fluorophenyl)methyl]-1-(1-methylpiperidin-4-yl)-3-[[4-(2-methylpropoxy)phenyl]methyl]urea;2-hydroxyethanesulfonic acid
CID 11713756
1-[(4-fluorophenyl)methyl]-3-[[4-(2-methylbut-3-enoxy)phenyl]methyl]-1-(1-methylpiperidin-4-yl)urea
CID 143567878
3-[(4-fluorophenyl)methyl]-1-[(4-hydroxyphenyl)methyl]-1-(1-methylpiperidin-4-yl)urea
CID 68778887
but-2-enedioic acid;1-[(4-fluorophenyl)methyl]-1-(1-methylpiperidin-4-yl)-3-[[4-(2-methylpropoxy)phenyl]methyl]urea
CID 66861998
(E)-but-2-enedioic acid;1-[(4-fluorophenyl)methyl]-1-(1-methylpiperidin-4-yl)-3-[[4-(2-methylpropoxy)phenyl]methyl]urea
CID 66861997
N-[(4-fluorophenyl)methyl]-2-[4-(2-methylpropoxy)phenyl]-N-piperidin-4-ylacetamide
CID 10097003
N-[(4-fluoro-2-methylphenyl)methyl]-N-(1-methylpiperidin-4-yl)-2-[4-(2-methylpropoxy)phenyl]acetamide;2,2,2-trifluoroacetic acid
CID 142534517
N-[1-[2-(1,3-dioxolan-2-yl)ethyl]piperidin-4-yl]-N-[(4-fluorophenyl)methyl]-2-[4-(2-methylpropoxy)phenyl]acetamide;hydrochloride
CID 10369884
1-[(4-fluorophenyl)methyl]-1-(1-methylpiperidin-4-yl)-3-[[4-(2-methylpropoxy)phenyl]methyl]urea;2-hydroxy-2-phenylacetic acid
CID 11699840
N-[(4-fluorophenyl)methyl]-2-[4-(2-methylpropoxy)phenyl]-N-[1-[2-(2-oxoimidazolidin-1-yl)ethyl]piperidin-4-yl]acetamide
CID 10482591

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-3-[4-(3-hydroxy-2-methylpropoxy)phenyl]-N-(1-methylpiperidin-4-yl)propanamide;N-[(4-fluorophenyl)methyl]-3-(4-hydroxyphenyl)-N-(1-methylpiperidin-4-yl)propanamide;2-methylbutan-1-ol?
The IUPAC name of N-[(4-fluorophenyl)methyl]-3-[4-(3-hydroxy-2-methylpropoxy)phenyl]-N-(1-methylpiperidin-4-yl)propanamide;N-[(4-fluorophenyl)methyl]-3-(4-hydroxyphenyl)-N-(1-methylpiperidin-4-yl)propanamide;2-methylbutan-1-ol (CID 159016151) is N-[(4-fluorophenyl)methyl]-3-[4-(3-hydroxy-2-methylpropoxy)phenyl]-N-(1-methylpiperidin-4-yl)propanamide;N-[(4-fluorophenyl)methyl]-3-(4-hydroxyphenyl)-N-(1-methylpiperidin-4-yl)propanamide;2-methylbutan-1-ol.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-3-[4-(3-hydroxy-2-methylpropoxy)phenyl]-N-(1-methylpiperidin-4-yl)propanamide;N-[(4-fluorophenyl)methyl]-3-(4-hydroxyphenyl)-N-(1-methylpiperidin-4-yl)propanamide;2-methylbutan-1-ol?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-3-[4-(3-hydroxy-2-methylpropoxy)phenyl]-N-(1-methylpiperidin-4-yl)propanamide;N-[(4-fluorophenyl)methyl]-3-(4-hydroxyphenyl)-N-(1-methylpiperidin-4-yl)propanamide;2-methylbutan-1-ol is CC(CO)COc1ccc(CCC(=O)N(Cc2ccc(F)cc2)C2CCN(C)CC2)cc1.CCC(C)CO.CN1CCC(N(Cc2ccc(F)cc2)C(=O)CCc2ccc(O)cc2)CC1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-3-[4-(3-hydroxy-2-methylpropoxy)phenyl]-N-(1-methylpiperidin-4-yl)propanamide;N-[(4-fluorophenyl)methyl]-3-(4-hydroxyphenyl)-N-(1-methylpiperidin-4-yl)propanamide;2-methylbutan-1-ol?
The InChIKey is JTCPWDXEFYADPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35FN2O3.C22H27FN2O2.C5H12O/c1-20(18-30)19-32-25-10-5-21(6-11-25)7-12-26(31)29(24-13-15-28(2)16-14-24)17-22-3-8-23(27)9-4-22;1-24-14-12-20(13-15-24)25(16-18-2-7-19(23)8-3-18)22(27)11-6-17-4-9-21(26)10-5-17;1-3-5(2)4-6/h3-6,8-11,20,24,30H,7,12-19H2,1-2H3;2-5,7-10,20,26H,6,11-16H2,1H3;5-6H,3-4H2,1-2H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-3-[4-(3-hydroxy-2-methylpropoxy)phenyl]-N-(1-methylpiperidin-4-yl)propanamide;N-[(4-fluorophenyl)methyl]-3-(4-hydroxyphenyl)-N-(1-methylpiperidin-4-yl)propanamide;2-methylbutan-1-ol?
N-[(4-fluorophenyl)methyl]-3-[4-(3-hydroxy-2-methylpropoxy)phenyl]-N-(1-methylpiperidin-4-yl)propanamide;N-[(4-fluorophenyl)methyl]-3-(4-hydroxyphenyl)-N-(1-methylpiperidin-4-yl)propanamide;2-methylbutan-1-ol has a molecular weight of 901.19 g/mol, XLogP of 8.50, 18 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-3-[4-(3-hydroxy-2-methylpropoxy)phenyl]-N-(1-methylpiperidin-4-yl)propanamide;N-[(4-fluorophenyl)methyl]-3-(4-hydroxyphenyl)-N-(1-methylpiperidin-4-yl)propanamide;2-methylbutan-1-ol is sourced from PubChem (CID 159016151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).