N-[(3R,4R)-1-(7,8-dimethylquinolin-4-yl)-3-hydroxypiperidin-4-yl]benzamide

C23H25N3O2 — CID 91843158

IUPACN-[(3R,4R)-1-(7,8-dimethylquinolin-4-yl)-3-hydroxypiperidin-4-yl]benzamide
SMILESCc1ccc2c(N3CC[C@@H](NC(=O)c4ccccc4)[C@H](O)C3)ccnc2c1C
InChIInChI=1S/C23H25N3O2/c1-15-8-9-18-20(10-12-24-22(18)16(15)2)26-13-11-19(21(27)14-26)25-23(28)17-6-4-3-5-7-17/h3-10,12,19,21,27H,11,13-14H2,1-2H3,(H,25,28)/t19-,21-/m1/s1
InChIKeyYEYSHMLKEULQLO-TZIWHRDSSA-N
MW375.47 g/mol
LogP3.22
Rot. Bonds3

About N-[(3R,4R)-1-(7,8-dimethylquinolin-4-yl)-3-hydroxypiperidin-4-yl]benzamide

N-[(3R,4R)-1-(7,8-dimethylquinolin-4-yl)-3-hydroxypiperidin-4-yl]benzamide (PubChem CID 91843158) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is N-[(3R,4R)-1-(7,8-dimethylquinolin-4-yl)-3-hydroxypiperidin-4-yl]benzamide.

Molecular Properties

Compound NameN-[(3R,4R)-1-(7,8-dimethylquinolin-4-yl)-3-hydroxypiperidin-4-yl]benzamide
PubChem CID91843158
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC NameN-[(3R,4R)-1-(7,8-dimethylquinolin-4-yl)-3-hydroxypiperidin-4-yl]benzamide
SMILESCc1ccc2c(N3CC[C@@H](NC(=O)c4ccccc4)[C@H](O)C3)ccnc2c1C
InChIInChI=1S/C23H25N3O2/c1-15-8-9-18-20(10-12-24-22(18)16(15)2)26-13-11-19(21(27)14-26)25-23(28)17-6-4-3-5-7-17/h3-10,12,19,21,27H,11,13-14H2,1-2H3,(H,25,28)/t19-,21-/m1/s1
InChIKeyYEYSHMLKEULQLO-TZIWHRDSSA-N
XLogP3.22
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-benzylpiperazin-1-yl)-7,8-dimethylquinoline
CID 43840526
N-[(3R,4R)-3-hydroxy-1-(5-methyl-1,3-oxazole-4-carbonyl)piperidin-4-yl]benzamide
CID 135094429
8-(7,8-dimethylquinolin-4-yl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 72892575
N-[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]benzamide
CID 172898892
N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]benzamide
CID 99697085
N-(2-benzamidocyclobutyl)benzamide
CID 58037122
N-[1-[2-(hydroxymethyl)-4-pyridinyl]piperidin-4-yl]benzamide
CID 136554673
N-[(1R,2R)-2-hydroxycyclopentyl]benzamide
CID 36691439
4-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-7,8-dimethylquinoline
CID 135101124
N-[1-(5-propan-2-yl-1,3-thiazol-2-yl)piperidin-4-yl]benzamide
CID 75450344
N-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]benzamide
CID 166217661
2-chloro-3-methyl-N-(1-quinolin-4-ylpiperidin-4-yl)benzamide;4-phenoxy-N-(1-quinolin-4-ylpiperidin-4-yl)benzamide
CID 68880273

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-1-(7,8-dimethylquinolin-4-yl)-3-hydroxypiperidin-4-yl]benzamide?
The IUPAC name of N-[(3R,4R)-1-(7,8-dimethylquinolin-4-yl)-3-hydroxypiperidin-4-yl]benzamide (CID 91843158) is N-[(3R,4R)-1-(7,8-dimethylquinolin-4-yl)-3-hydroxypiperidin-4-yl]benzamide.
What is the SMILES notation for N-[(3R,4R)-1-(7,8-dimethylquinolin-4-yl)-3-hydroxypiperidin-4-yl]benzamide?
The canonical SMILES for N-[(3R,4R)-1-(7,8-dimethylquinolin-4-yl)-3-hydroxypiperidin-4-yl]benzamide is Cc1ccc2c(N3CC[C@@H](NC(=O)c4ccccc4)[C@H](O)C3)ccnc2c1C.
What is the InChIKey of N-[(3R,4R)-1-(7,8-dimethylquinolin-4-yl)-3-hydroxypiperidin-4-yl]benzamide?
The InChIKey is YEYSHMLKEULQLO-TZIWHRDSSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-15-8-9-18-20(10-12-24-22(18)16(15)2)26-13-11-19(21(27)14-26)25-23(28)17-6-4-3-5-7-17/h3-10,12,19,21,27H,11,13-14H2,1-2H3,(H,25,28)/t19-,21-/m1/s1.
What are the key properties of N-[(3R,4R)-1-(7,8-dimethylquinolin-4-yl)-3-hydroxypiperidin-4-yl]benzamide?
N-[(3R,4R)-1-(7,8-dimethylquinolin-4-yl)-3-hydroxypiperidin-4-yl]benzamide has a molecular weight of 375.47 g/mol, XLogP of 3.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-1-(7,8-dimethylquinolin-4-yl)-3-hydroxypiperidin-4-yl]benzamide is sourced from PubChem (CID 91843158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).