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

C27H36N2O2 — CID 46226176

IUPAC3-[1-(cyclopropylmethyl)-4-[4-(3-hydroxypentan-3-yl)phenyl]piperidin-4-yl]benzamide
SMILESCCC(O)(CC)c1ccc(C2(c3cccc(C(N)=O)c3)CCN(CC3CC3)CC2)cc1
InChIInChI=1S/C27H36N2O2/c1-3-27(31,4-2)23-12-10-22(11-13-23)26(24-7-5-6-21(18-24)25(28)30)14-16-29(17-15-26)19-20-8-9-20/h5-7,10-13,18,20,31H,3-4,8-9,14-17,19H2,1-2H3,(H2,28,30)
InChIKeyNSZMMTQRGQBJNB-UHFFFAOYSA-N
MW420.60 g/mol
LogP4.59
Rot. Bonds8

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

3-[1-(cyclopropylmethyl)-4-[4-(3-hydroxypentan-3-yl)phenyl]piperidin-4-yl]benzamide (PubChem CID 46226176) has the molecular formula C27H36N2O2 and a molecular weight of 420.60 g/mol. Its IUPAC name is 3-[1-(cyclopropylmethyl)-4-[4-(3-hydroxypentan-3-yl)phenyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound Name3-[1-(cyclopropylmethyl)-4-[4-(3-hydroxypentan-3-yl)phenyl]piperidin-4-yl]benzamide
PubChem CID46226176
Molecular FormulaC27H36N2O2
Molecular Weight420.60 g/mol
Exact Mass420.28
IUPAC Name3-[1-(cyclopropylmethyl)-4-[4-(3-hydroxypentan-3-yl)phenyl]piperidin-4-yl]benzamide
SMILESCCC(O)(CC)c1ccc(C2(c3cccc(C(N)=O)c3)CCN(CC3CC3)CC2)cc1
InChIInChI=1S/C27H36N2O2/c1-3-27(31,4-2)23-12-10-22(11-13-23)26(24-7-5-6-21(18-24)25(28)30)14-16-29(17-15-26)19-20-8-9-20/h5-7,10-13,18,20,31H,3-4,8-9,14-17,19H2,1-2H3,(H2,28,30)
InChIKeyNSZMMTQRGQBJNB-UHFFFAOYSA-N
XLogP4.59
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.60
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Gsk-2879552
CID 66571643
N-[trans-4-(3-Amino-3-Oxopropyl)-4-Phenylcyclohexyl]-N-Cyclopropyl-4-[(1s)-2,2,2-Trifluoro-1-Hydroxy-1-Methylethyl]benzamide
CID 25019309
N-{1-[(1-carbamoylcyclopropyl)methyl]piperidin-4-yl}-N-cyclopropyl-4-[(1S)-2,2,2-trifluoro-1-hydroxy-1-methylethyl]benzamide
CID 25263223
Cyclohexyl benzamide derivative, 9
CID 15986762
N-[4-(2-carbamoylethyl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide
CID 15987397
Cyclohexyl benzamide derivative, 12
CID 25263221
4-(1-(cyclopropylmethyl)-3-(3-hydroxyphenyl)piperidin-3-yl)-N,N-diethylbenzamide
CID 9822639
N-{4-[(1-carbamoylcyclopropyl)methyl]cyclohexyl}-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide
CID 25263222
4-(1-(cyclopropylmethyl)-3-(3-hydroxyphenyl)piperidin-3-yl)-N-ethyl-N-methylbenzamide
CID 9865332
rel-3-((1R,2R)-2-((dimethylamino)methyl)-1-hydroxycyclohexyl)benzamide
CID 11521945
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

Frequently Asked Questions

What is the IUPAC name of 3-[1-(cyclopropylmethyl)-4-[4-(3-hydroxypentan-3-yl)phenyl]piperidin-4-yl]benzamide?
The IUPAC name of 3-[1-(cyclopropylmethyl)-4-[4-(3-hydroxypentan-3-yl)phenyl]piperidin-4-yl]benzamide (CID 46226176) is 3-[1-(cyclopropylmethyl)-4-[4-(3-hydroxypentan-3-yl)phenyl]piperidin-4-yl]benzamide.
What is the SMILES notation for 3-[1-(cyclopropylmethyl)-4-[4-(3-hydroxypentan-3-yl)phenyl]piperidin-4-yl]benzamide?
The canonical SMILES for 3-[1-(cyclopropylmethyl)-4-[4-(3-hydroxypentan-3-yl)phenyl]piperidin-4-yl]benzamide is CCC(O)(CC)c1ccc(C2(c3cccc(C(N)=O)c3)CCN(CC3CC3)CC2)cc1.
What is the InChIKey of 3-[1-(cyclopropylmethyl)-4-[4-(3-hydroxypentan-3-yl)phenyl]piperidin-4-yl]benzamide?
The InChIKey is NSZMMTQRGQBJNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N2O2/c1-3-27(31,4-2)23-12-10-22(11-13-23)26(24-7-5-6-21(18-24)25(28)30)14-16-29(17-15-26)19-20-8-9-20/h5-7,10-13,18,20,31H,3-4,8-9,14-17,19H2,1-2H3,(H2,28,30).
What are the key properties of 3-[1-(cyclopropylmethyl)-4-[4-(3-hydroxypentan-3-yl)phenyl]piperidin-4-yl]benzamide?
3-[1-(cyclopropylmethyl)-4-[4-(3-hydroxypentan-3-yl)phenyl]piperidin-4-yl]benzamide has a molecular weight of 420.60 g/mol, XLogP of 4.59, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(cyclopropylmethyl)-4-[4-(3-hydroxypentan-3-yl)phenyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 46226176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).