3-[4-[4-(3-hydroxypentan-3-yl)phenyl]-1-(2-methylpentyl)piperidin-4-yl]benzamide

C29H42N2O2 — CID 46190938

IUPAC3-[4-[4-(3-hydroxypentan-3-yl)phenyl]-1-(2-methylpentyl)piperidin-4-yl]benzamide
SMILESCCCC(C)CN1CCC(c2ccc(C(O)(CC)CC)cc2)(c2cccc(C(N)=O)c2)CC1
InChIInChI=1S/C29H42N2O2/c1-5-9-22(4)21-31-18-16-28(17-19-31,26-11-8-10-23(20-26)27(30)32)24-12-14-25(15-13-24)29(33,6-2)7-3/h8,10-15,20,22,33H,5-7,9,16-19,21H2,1-4H3,(H2,30,32)
InChIKeyMAPOTTLVIWZPHI-UHFFFAOYSA-N
MW450.67 g/mol
LogP5.61
Rot. Bonds10

About 3-[4-[4-(3-hydroxypentan-3-yl)phenyl]-1-(2-methylpentyl)piperidin-4-yl]benzamide

3-[4-[4-(3-hydroxypentan-3-yl)phenyl]-1-(2-methylpentyl)piperidin-4-yl]benzamide (PubChem CID 46190938) has the molecular formula C29H42N2O2 and a molecular weight of 450.67 g/mol. Its IUPAC name is 3-[4-[4-(3-hydroxypentan-3-yl)phenyl]-1-(2-methylpentyl)piperidin-4-yl]benzamide.

Molecular Properties

Compound Name3-[4-[4-(3-hydroxypentan-3-yl)phenyl]-1-(2-methylpentyl)piperidin-4-yl]benzamide
PubChem CID46190938
Molecular FormulaC29H42N2O2
Molecular Weight450.67 g/mol
Exact Mass450.32
IUPAC Name3-[4-[4-(3-hydroxypentan-3-yl)phenyl]-1-(2-methylpentyl)piperidin-4-yl]benzamide
SMILESCCCC(C)CN1CCC(c2ccc(C(O)(CC)CC)cc2)(c2cccc(C(N)=O)c2)CC1
InChIInChI=1S/C29H42N2O2/c1-5-9-22(4)21-31-18-16-28(17-19-31,26-11-8-10-23(20-26)27(30)32)24-12-14-25(15-13-24)29(33,6-2)7-3/h8,10-15,20,22,33H,5-7,9,16-19,21H2,1-4H3,(H2,30,32)
InChIKeyMAPOTTLVIWZPHI-UHFFFAOYSA-N
XLogP5.61
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.67
LogP ≤ 55.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[trans-4-(3-Amino-3-Oxopropyl)-4-Phenylcyclohexyl]-N-Cyclopropyl-4-[(1s)-2,2,2-Trifluoro-1-Hydroxy-1-Methylethyl]benzamide
CID 25019309
4'-tert-Butyl-4-(4-(hydroxybenzhydryl)piperidino)butyrophenone
CID 39380
Cyclohexyl benzamide derivative, 12
CID 25263221
N-{4-[(1-carbamoylcyclopropyl)methyl]cyclohexyl}-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide
CID 25263222
4-(1-butyl-3-(3-hydroxyphenyl)piperidin-3-yl)-N,N-diethylbenzamide
CID 9866175
rel-3-((1R,2R)-2-((dimethylamino)methyl)-1-hydroxycyclohexyl)benzamide
CID 11521945
N-methyl-N-phenethyl-4-(2,2,2-trifluoro-1-hydroxy-1-trifluoromethylethyl)benzamide
CID 11632811
4-((4-tert-Butylbenzamido)methyl)benzoic acid
CID 17360242
4-(1-allyl-4-(3-hydroxyphenyl)piperidin-4-yl)-N,N-diethylbenzamide
CID 22729907
4-(4-(3-hydroxyphenyl)-1-(2-methylpentyl)piperidin-4-yl)-N,N-dimethylbenzamide
CID 22729922
4-(1-(cyclopropylmethyl)-4-(3-hydroxyphenyl)piperidin-4-yl)-N,N-diethylbenzamide
CID 22729923
N-((4S)-4-(2-amino-2-oxoethyl)-4-phenylcyclohexyl)-N-cyclopropyl-4-((S)-1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide
CID 25018029

Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-(3-hydroxypentan-3-yl)phenyl]-1-(2-methylpentyl)piperidin-4-yl]benzamide?
The IUPAC name of 3-[4-[4-(3-hydroxypentan-3-yl)phenyl]-1-(2-methylpentyl)piperidin-4-yl]benzamide (CID 46190938) is 3-[4-[4-(3-hydroxypentan-3-yl)phenyl]-1-(2-methylpentyl)piperidin-4-yl]benzamide.
What is the SMILES notation for 3-[4-[4-(3-hydroxypentan-3-yl)phenyl]-1-(2-methylpentyl)piperidin-4-yl]benzamide?
The canonical SMILES for 3-[4-[4-(3-hydroxypentan-3-yl)phenyl]-1-(2-methylpentyl)piperidin-4-yl]benzamide is CCCC(C)CN1CCC(c2ccc(C(O)(CC)CC)cc2)(c2cccc(C(N)=O)c2)CC1.
What is the InChIKey of 3-[4-[4-(3-hydroxypentan-3-yl)phenyl]-1-(2-methylpentyl)piperidin-4-yl]benzamide?
The InChIKey is MAPOTTLVIWZPHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H42N2O2/c1-5-9-22(4)21-31-18-16-28(17-19-31,26-11-8-10-23(20-26)27(30)32)24-12-14-25(15-13-24)29(33,6-2)7-3/h8,10-15,20,22,33H,5-7,9,16-19,21H2,1-4H3,(H2,30,32).
What are the key properties of 3-[4-[4-(3-hydroxypentan-3-yl)phenyl]-1-(2-methylpentyl)piperidin-4-yl]benzamide?
3-[4-[4-(3-hydroxypentan-3-yl)phenyl]-1-(2-methylpentyl)piperidin-4-yl]benzamide has a molecular weight of 450.67 g/mol, XLogP of 5.61, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-(3-hydroxypentan-3-yl)phenyl]-1-(2-methylpentyl)piperidin-4-yl]benzamide is sourced from PubChem (CID 46190938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).