1-(1-benzoylpiperidin-4-yl)-2-methylpropan-1-one;3-hydroxy-N-(4-methyl-3-oxopentyl)benzamide;4-hydroxy-N-(4-methyl-3-oxopentyl)benzamide;N-(4-methyl-3-oxopentyl)benzamide;3-(2-methylpropanoyl)benzoic acid

C66H84N4O13 — CID 159203518

IUPAC1-(1-benzoylpiperidin-4-yl)-2-methylpropan-1-one;3-hydroxy-N-(4-methyl-3-oxopentyl)benzamide;4-hydroxy-N-(4-methyl-3-oxopentyl)benzamide;N-(4-methyl-3-oxopentyl)benzamide;3-(2-methylpropanoyl)benzoic acid
SMILESCC(C)C(=O)C1CCN(C(=O)c2ccccc2)CC1.CC(C)C(=O)CCNC(=O)c1ccc(O)cc1.CC(C)C(=O)CCNC(=O)c1cccc(O)c1.CC(C)C(=O)CCNC(=O)c1ccccc1.CC(C)C(=O)c1cccc(C(=O)O)c1
InChIInChI=1S/C16H21NO2.2C13H17NO3.C13H17NO2.C11H12O3/c1-12(2)15(18)13-8-10-17(11-9-13)16(19)14-6-4-3-5-7-14;1-9(2)12(16)7-8-14-13(17)10-3-5-11(15)6-4-10;1-9(2)12(16)6-7-14-13(17)10-4-3-5-11(15)8-10;1-10(2)12(15)8-9-14-13(16)11-6-4-3-5-7-11;1-7(2)10(12)8-4-3-5-9(6-8)11(13)14/h3-7,12-13H,8-11H2,1-2H3;3-6,9,15H,7-8H2,1-2H3,(H,14,17);3-5,8-9,15H,6-7H2,1-2H3,(H,14,17);3-7,10H,8-9H2,1-2H3,(H,14,16);3-7H,1-2H3,(H,13,14)
InChIKeyKPOYELWIQNRLLX-UHFFFAOYSA-N
MW1141.41 g/mol
LogP10.49
Rot. Bonds21

About 1-(1-benzoylpiperidin-4-yl)-2-methylpropan-1-one;3-hydroxy-N-(4-methyl-3-oxopentyl)benzamide;4-hydroxy-N-(4-methyl-3-oxopentyl)benzamide;N-(4-methyl-3-oxopentyl)benzamide;3-(2-methylpropanoyl)benzoic acid

1-(1-benzoylpiperidin-4-yl)-2-methylpropan-1-one;3-hydroxy-N-(4-methyl-3-oxopentyl)benzamide;4-hydroxy-N-(4-methyl-3-oxopentyl)benzamide;N-(4-methyl-3-oxopentyl)benzamide;3-(2-methylpropanoyl)benzoic acid (PubChem CID 159203518) has the molecular formula C66H84N4O13 and a molecular weight of 1141.41 g/mol. Its IUPAC name is 1-(1-benzoylpiperidin-4-yl)-2-methylpropan-1-one;3-hydroxy-N-(4-methyl-3-oxopentyl)benzamide;4-hydroxy-N-(4-methyl-3-oxopentyl)benzamide;N-(4-methyl-3-oxopentyl)benzamide;3-(2-methylpropanoyl)benzoic acid.

Molecular Properties

Compound Name1-(1-benzoylpiperidin-4-yl)-2-methylpropan-1-one;3-hydroxy-N-(4-methyl-3-oxopentyl)benzamide;4-hydroxy-N-(4-methyl-3-oxopentyl)benzamide;N-(4-methyl-3-oxopentyl)benzamide;3-(2-methylpropanoyl)benzoic acid
PubChem CID159203518
Molecular FormulaC66H84N4O13
Molecular Weight1141.41 g/mol
Exact Mass1140.60
IUPAC Name1-(1-benzoylpiperidin-4-yl)-2-methylpropan-1-one;3-hydroxy-N-(4-methyl-3-oxopentyl)benzamide;4-hydroxy-N-(4-methyl-3-oxopentyl)benzamide;N-(4-methyl-3-oxopentyl)benzamide;3-(2-methylpropanoyl)benzoic acid
SMILESCC(C)C(=O)C1CCN(C(=O)c2ccccc2)CC1.CC(C)C(=O)CCNC(=O)c1ccc(O)cc1.CC(C)C(=O)CCNC(=O)c1cccc(O)c1.CC(C)C(=O)CCNC(=O)c1ccccc1.CC(C)C(=O)c1cccc(C(=O)O)c1
InChIInChI=1S/C16H21NO2.2C13H17NO3.C13H17NO2.C11H12O3/c1-12(2)15(18)13-8-10-17(11-9-13)16(19)14-6-4-3-5-7-14;1-9(2)12(16)7-8-14-13(17)10-3-5-11(15)6-4-10;1-9(2)12(16)6-7-14-13(17)10-4-3-5-11(15)8-10;1-10(2)12(15)8-9-14-13(16)11-6-4-3-5-7-11;1-7(2)10(12)8-4-3-5-9(6-8)11(13)14/h3-7,12-13H,8-11H2,1-2H3;3-6,9,15H,7-8H2,1-2H3,(H,14,17);3-5,8-9,15H,6-7H2,1-2H3,(H,14,17);3-7,10H,8-9H2,1-2H3,(H,14,16);3-7H,1-2H3,(H,13,14)
InChIKeyKPOYELWIQNRLLX-UHFFFAOYSA-N
XLogP10.49
TPSA270.72 Ų
H-Bond Donors6
H-Bond Acceptors12
Rotatable Bonds21
Heavy Atoms83
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001141.41
LogP ≤ 510.49
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1012

Analyze 1-(1-benzoylpiperidin-4-yl)-2-methylpropan-1-one;3-hydroxy-N-(4-methyl-3-oxopentyl)benzamide;4-hydroxy-N-(4-methyl-3-oxopentyl)benzamide;N-(4-methyl-3-oxopentyl)benzamide;3-(2-methylpropanoyl)benzoic acid with MolForge

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Related Compounds

N-(3-methylbutyl)-3-(4-methylpiperidine-1-carbonyl)benzamide
CID 109052318
N-[2-(1-benzoylpiperidin-4-yl)ethyl]-3-methylbenzamide
CID 46378991
3-(4-methylpiperidine-1-carbonyl)-N-propylbenzamide
CID 109050285
3-(4-propan-2-ylpiperidine-1-carbonyl)benzoic acid
CID 103925973
3-(4-methylpiperidine-1-carbonyl)-N-(2-methylpropyl)benzamide
CID 109051247
N,N-diethyl-4-[(3-hydroxybenzoyl)amino]piperidine-1-carboxamide
CID 108562959
3-[[3-oxo-3-(propan-2-ylamino)propyl]carbamoyl]benzoic acid
CID 115596261
3-[4-(methylcarbamoyl)piperidine-1-carbonyl]benzoic acid
CID 61440069
2-[1-[3-(propylcarbamoyl)benzoyl]piperidin-4-yl]acetic acid
CID 119177928
1-(4-benzamidobenzoyl)-N-(2-methylpropyl)piperidine-4-carboxamide
CID 46384551
3-(4-benzylpiperidine-1-carbonyl)-N-(2-methylpropyl)benzamide
CID 109051316
(3-hydroxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 60818037

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzoylpiperidin-4-yl)-2-methylpropan-1-one;3-hydroxy-N-(4-methyl-3-oxopentyl)benzamide;4-hydroxy-N-(4-methyl-3-oxopentyl)benzamide;N-(4-methyl-3-oxopentyl)benzamide;3-(2-methylpropanoyl)benzoic acid?
The IUPAC name of 1-(1-benzoylpiperidin-4-yl)-2-methylpropan-1-one;3-hydroxy-N-(4-methyl-3-oxopentyl)benzamide;4-hydroxy-N-(4-methyl-3-oxopentyl)benzamide;N-(4-methyl-3-oxopentyl)benzamide;3-(2-methylpropanoyl)benzoic acid (CID 159203518) is 1-(1-benzoylpiperidin-4-yl)-2-methylpropan-1-one;3-hydroxy-N-(4-methyl-3-oxopentyl)benzamide;4-hydroxy-N-(4-methyl-3-oxopentyl)benzamide;N-(4-methyl-3-oxopentyl)benzamide;3-(2-methylpropanoyl)benzoic acid.
What is the SMILES notation for 1-(1-benzoylpiperidin-4-yl)-2-methylpropan-1-one;3-hydroxy-N-(4-methyl-3-oxopentyl)benzamide;4-hydroxy-N-(4-methyl-3-oxopentyl)benzamide;N-(4-methyl-3-oxopentyl)benzamide;3-(2-methylpropanoyl)benzoic acid?
The canonical SMILES for 1-(1-benzoylpiperidin-4-yl)-2-methylpropan-1-one;3-hydroxy-N-(4-methyl-3-oxopentyl)benzamide;4-hydroxy-N-(4-methyl-3-oxopentyl)benzamide;N-(4-methyl-3-oxopentyl)benzamide;3-(2-methylpropanoyl)benzoic acid is CC(C)C(=O)C1CCN(C(=O)c2ccccc2)CC1.CC(C)C(=O)CCNC(=O)c1ccc(O)cc1.CC(C)C(=O)CCNC(=O)c1cccc(O)c1.CC(C)C(=O)CCNC(=O)c1ccccc1.CC(C)C(=O)c1cccc(C(=O)O)c1.
What is the InChIKey of 1-(1-benzoylpiperidin-4-yl)-2-methylpropan-1-one;3-hydroxy-N-(4-methyl-3-oxopentyl)benzamide;4-hydroxy-N-(4-methyl-3-oxopentyl)benzamide;N-(4-methyl-3-oxopentyl)benzamide;3-(2-methylpropanoyl)benzoic acid?
The InChIKey is KPOYELWIQNRLLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2.2C13H17NO3.C13H17NO2.C11H12O3/c1-12(2)15(18)13-8-10-17(11-9-13)16(19)14-6-4-3-5-7-14;1-9(2)12(16)7-8-14-13(17)10-3-5-11(15)6-4-10;1-9(2)12(16)6-7-14-13(17)10-4-3-5-11(15)8-10;1-10(2)12(15)8-9-14-13(16)11-6-4-3-5-7-11;1-7(2)10(12)8-4-3-5-9(6-8)11(13)14/h3-7,12-13H,8-11H2,1-2H3;3-6,9,15H,7-8H2,1-2H3,(H,14,17);3-5,8-9,15H,6-7H2,1-2H3,(H,14,17);3-7,10H,8-9H2,1-2H3,(H,14,16);3-7H,1-2H3,(H,13,14).
What are the key properties of 1-(1-benzoylpiperidin-4-yl)-2-methylpropan-1-one;3-hydroxy-N-(4-methyl-3-oxopentyl)benzamide;4-hydroxy-N-(4-methyl-3-oxopentyl)benzamide;N-(4-methyl-3-oxopentyl)benzamide;3-(2-methylpropanoyl)benzoic acid?
1-(1-benzoylpiperidin-4-yl)-2-methylpropan-1-one;3-hydroxy-N-(4-methyl-3-oxopentyl)benzamide;4-hydroxy-N-(4-methyl-3-oxopentyl)benzamide;N-(4-methyl-3-oxopentyl)benzamide;3-(2-methylpropanoyl)benzoic acid has a molecular weight of 1141.41 g/mol, XLogP of 10.49, 21 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzoylpiperidin-4-yl)-2-methylpropan-1-one;3-hydroxy-N-(4-methyl-3-oxopentyl)benzamide;4-hydroxy-N-(4-methyl-3-oxopentyl)benzamide;N-(4-methyl-3-oxopentyl)benzamide;3-(2-methylpropanoyl)benzoic acid is sourced from PubChem (CID 159203518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).