N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]-3,4-dimethylbenzamide

C21H24N2O4 — CID 108557638

IUPACN-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NC2CCN(C(=O)c3cc(O)cc(O)c3)CC2)cc1C
InChIInChI=1S/C21H24N2O4/c1-13-3-4-15(9-14(13)2)20(26)22-17-5-7-23(8-6-17)21(27)16-10-18(24)12-19(25)11-16/h3-4,9-12,17,24-25H,5-8H2,1-2H3,(H,22,26)
InChIKeyYUQYIESLEPWWJH-UHFFFAOYSA-N
MW368.43 g/mol
LogP2.75
Rot. Bonds3

About N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]-3,4-dimethylbenzamide

N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]-3,4-dimethylbenzamide (PubChem CID 108557638) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]-3,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]-3,4-dimethylbenzamide
PubChem CID108557638
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC NameN-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NC2CCN(C(=O)c3cc(O)cc(O)c3)CC2)cc1C
InChIInChI=1S/C21H24N2O4/c1-13-3-4-15(9-14(13)2)20(26)22-17-5-7-23(8-6-17)21(27)16-10-18(24)12-19(25)11-16/h3-4,9-12,17,24-25H,5-8H2,1-2H3,(H,22,26)
InChIKeyYUQYIESLEPWWJH-UHFFFAOYSA-N
XLogP2.75
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]-4-methoxybenzamide
CID 108548966
N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]thiophene-3-carboxamide
CID 60578146
N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]-4-(trifluoromethyl)benzamide
CID 108558603
4-(dimethylamino)-N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]benzamide
CID 108557983
N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]-1,3-benzodioxole-5-carboxamide
CID 108557334
3,4-dimethyl-N-[1-(2-sulfanylbenzoyl)piperidin-4-yl]benzamide
CID 108557610
N-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-3,5-dihydroxybenzamide
CID 108558147
N-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]-3,5-dihydroxybenzamide
CID 108558128
N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]-2-hydroxybenzamide
CID 108551443
2-chloro-N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]benzamide
CID 108550857
ethyl N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]carbamate
CID 47906995
N-(1-ethylpiperidin-4-yl)-3,4-dimethylbenzamide
CID 17249701

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]-3,4-dimethylbenzamide?
The IUPAC name of N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]-3,4-dimethylbenzamide (CID 108557638) is N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]-3,4-dimethylbenzamide.
What is the SMILES notation for N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]-3,4-dimethylbenzamide?
The canonical SMILES for N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]-3,4-dimethylbenzamide is Cc1ccc(C(=O)NC2CCN(C(=O)c3cc(O)cc(O)c3)CC2)cc1C.
What is the InChIKey of N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]-3,4-dimethylbenzamide?
The InChIKey is YUQYIESLEPWWJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-13-3-4-15(9-14(13)2)20(26)22-17-5-7-23(8-6-17)21(27)16-10-18(24)12-19(25)11-16/h3-4,9-12,17,24-25H,5-8H2,1-2H3,(H,22,26).
What are the key properties of N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]-3,4-dimethylbenzamide?
N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]-3,4-dimethylbenzamide has a molecular weight of 368.43 g/mol, XLogP of 2.75, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]-3,4-dimethylbenzamide is sourced from PubChem (CID 108557638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).