N-cyclopropyl-3-[[1-[2-(4-methylphenyl)acetyl]piperidin-3-yl]methoxy]benzamide

C25H30N2O3 — CID 50846747

IUPACN-cyclopropyl-3-[[1-[2-(4-methylphenyl)acetyl]piperidin-3-yl]methoxy]benzamide
SMILESCc1ccc(CC(=O)N2CCCC(COc3cccc(C(=O)NC4CC4)c3)C2)cc1
InChIInChI=1S/C25H30N2O3/c1-18-7-9-19(10-8-18)14-24(28)27-13-3-4-20(16-27)17-30-23-6-2-5-21(15-23)25(29)26-22-11-12-22/h2,5-10,15,20,22H,3-4,11-14,16-17H2,1H3,(H,26,29)
InChIKeySORXQLAISWJTRR-UHFFFAOYSA-N
MW406.53 g/mol
LogP3.75
Rot. Bonds7

About N-cyclopropyl-3-[[1-[2-(4-methylphenyl)acetyl]piperidin-3-yl]methoxy]benzamide

N-cyclopropyl-3-[[1-[2-(4-methylphenyl)acetyl]piperidin-3-yl]methoxy]benzamide (PubChem CID 50846747) has the molecular formula C25H30N2O3 and a molecular weight of 406.53 g/mol. Its IUPAC name is N-cyclopropyl-3-[[1-[2-(4-methylphenyl)acetyl]piperidin-3-yl]methoxy]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[[1-[2-(4-methylphenyl)acetyl]piperidin-3-yl]methoxy]benzamide
PubChem CID50846747
Molecular FormulaC25H30N2O3
Molecular Weight406.53 g/mol
Exact Mass406.23
IUPAC NameN-cyclopropyl-3-[[1-[2-(4-methylphenyl)acetyl]piperidin-3-yl]methoxy]benzamide
SMILESCc1ccc(CC(=O)N2CCCC(COc3cccc(C(=O)NC4CC4)c3)C2)cc1
InChIInChI=1S/C25H30N2O3/c1-18-7-9-19(10-8-18)14-24(28)27-13-3-4-20(16-27)17-30-23-6-2-5-21(15-23)25(29)26-22-11-12-22/h2,5-10,15,20,22H,3-4,11-14,16-17H2,1H3,(H,26,29)
InChIKeySORXQLAISWJTRR-UHFFFAOYSA-N
XLogP3.75
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-3-[[(3S)-1-propanoylpiperidin-3-yl]methoxy]benzamide
CID 92901036
N-cyclopropyl-3-[[(3R)-1-[2-(2-fluorophenyl)acetyl]piperidin-3-yl]methoxy]benzamide
CID 92901011
N-cyclopropyl-3-[[(3R)-1-(4-methoxybenzoyl)piperidin-3-yl]methoxy]benzamide
CID 92901057
3-[[1-(cyclohexanecarbonyl)piperidin-3-yl]methoxy]-N-cyclopropylbenzamide
CID 50846681
N-cyclopropyl-3-[[1-(furan-3-carbonyl)piperidin-3-yl]methoxy]benzamide
CID 50846714
N-cyclopropyl-3-[[(3R)-1-(furan-3-carbonyl)piperidin-3-yl]methoxy]benzamide
CID 92900949
N-cyclopropyl-3-[[(3S)-1-(4-propan-2-ylbenzoyl)piperidin-3-yl]methoxy]benzamide
CID 92900980
N-cyclopropyl-3-[[(3S)-1-[4-(dimethylamino)benzoyl]piperidin-3-yl]methoxy]benzamide
CID 92900952
N-cyclopropyl-4-[[(3R)-1-[2-(3-fluorophenyl)acetyl]piperidin-3-yl]methoxy]benzamide
CID 95097828
N-cyclopropyl-4-[[(3R)-1-(4-methylbenzoyl)piperidin-3-yl]methoxy]benzamide
CID 95097896
N-cyclopropyl-3-[[1-[4-(trifluoromethyl)benzoyl]piperidin-3-yl]methoxy]benzamide
CID 50847037
2-(4-ethoxyphenyl)-1-[3-(phenoxymethyl)piperidin-1-yl]ethanone
CID 110638412

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[[1-[2-(4-methylphenyl)acetyl]piperidin-3-yl]methoxy]benzamide?
The IUPAC name of N-cyclopropyl-3-[[1-[2-(4-methylphenyl)acetyl]piperidin-3-yl]methoxy]benzamide (CID 50846747) is N-cyclopropyl-3-[[1-[2-(4-methylphenyl)acetyl]piperidin-3-yl]methoxy]benzamide.
What is the SMILES notation for N-cyclopropyl-3-[[1-[2-(4-methylphenyl)acetyl]piperidin-3-yl]methoxy]benzamide?
The canonical SMILES for N-cyclopropyl-3-[[1-[2-(4-methylphenyl)acetyl]piperidin-3-yl]methoxy]benzamide is Cc1ccc(CC(=O)N2CCCC(COc3cccc(C(=O)NC4CC4)c3)C2)cc1.
What is the InChIKey of N-cyclopropyl-3-[[1-[2-(4-methylphenyl)acetyl]piperidin-3-yl]methoxy]benzamide?
The InChIKey is SORXQLAISWJTRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O3/c1-18-7-9-19(10-8-18)14-24(28)27-13-3-4-20(16-27)17-30-23-6-2-5-21(15-23)25(29)26-22-11-12-22/h2,5-10,15,20,22H,3-4,11-14,16-17H2,1H3,(H,26,29).
What are the key properties of N-cyclopropyl-3-[[1-[2-(4-methylphenyl)acetyl]piperidin-3-yl]methoxy]benzamide?
N-cyclopropyl-3-[[1-[2-(4-methylphenyl)acetyl]piperidin-3-yl]methoxy]benzamide has a molecular weight of 406.53 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[[1-[2-(4-methylphenyl)acetyl]piperidin-3-yl]methoxy]benzamide is sourced from PubChem (CID 50846747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).