N-[[(3R)-1-(2-methylbenzoyl)piperidin-3-yl]methyl]butanamide

C18H26N2O2 — CID 95304598

IUPACN-[[(3R)-1-(2-methylbenzoyl)piperidin-3-yl]methyl]butanamide
SMILESCCCC(=O)NC[C@H]1CCCN(C(=O)c2ccccc2C)C1
InChIInChI=1S/C18H26N2O2/c1-3-7-17(21)19-12-15-9-6-11-20(13-15)18(22)16-10-5-4-8-14(16)2/h4-5,8,10,15H,3,6-7,9,11-13H2,1-2H3,(H,19,21)/t15-/m1/s1
InChIKeyYOVGHVXHTMLQMP-OAHLLOKOSA-N
MW302.42 g/mol
LogP2.76
Rot. Bonds5

About N-[[(3R)-1-(2-methylbenzoyl)piperidin-3-yl]methyl]butanamide

N-[[(3R)-1-(2-methylbenzoyl)piperidin-3-yl]methyl]butanamide (PubChem CID 95304598) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is N-[[(3R)-1-(2-methylbenzoyl)piperidin-3-yl]methyl]butanamide.

Molecular Properties

Compound NameN-[[(3R)-1-(2-methylbenzoyl)piperidin-3-yl]methyl]butanamide
PubChem CID95304598
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC NameN-[[(3R)-1-(2-methylbenzoyl)piperidin-3-yl]methyl]butanamide
SMILESCCCC(=O)NC[C@H]1CCCN(C(=O)c2ccccc2C)C1
InChIInChI=1S/C18H26N2O2/c1-3-7-17(21)19-12-15-9-6-11-20(13-15)18(22)16-10-5-4-8-14(16)2/h4-5,8,10,15H,3,6-7,9,11-13H2,1-2H3,(H,19,21)/t15-/m1/s1
InChIKeyYOVGHVXHTMLQMP-OAHLLOKOSA-N
XLogP2.76
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(2-ethoxypyridine-3-carbonyl)piperidin-3-yl]methyl]butanamide
CID 51107687
N-[[(3S)-1-[2-(2,5-dimethylpyrrol-1-yl)-5-methylbenzoyl]piperidin-3-yl]methyl]butanamide
CID 52861399
N-[[(3R)-1-(4-ethylbenzoyl)piperidin-3-yl]methyl]butanamide
CID 95294529
5-[3-[(butanoylamino)methyl]piperidine-1-carbonyl]thiophene-2-carboxylic acid
CID 119183261
N-[[(3S)-1-(3-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperidin-3-yl]methyl]butanamide
CID 97312968
N-[[(3R)-1-[(2R)-2-phenylbutanoyl]piperidin-3-yl]methyl]butanamide
CID 95158748
N-[[(3R)-1-(4-methoxybenzoyl)piperidin-3-yl]methyl]butanamide
CID 95295388
N-[[1-(3-aminobenzoyl)piperidin-3-yl]methyl]butanamide;hydrochloride
CID 119761652
N-[[1-[4-(aminomethyl)benzoyl]piperidin-3-yl]methyl]butanamide;hydrochloride
CID 119310763
N-[[(3S)-1-[6-(cyclopropylamino)pyridine-3-carbonyl]piperidin-3-yl]methyl]butanamide
CID 95292303
N-[[(3R)-1-[5-(2-fluorophenyl)thiophene-2-carbonyl]piperidin-3-yl]methyl]butanamide
CID 52513790
N-[[(3S)-1-[4-[methyl(phenyl)sulfamoyl]benzoyl]piperidin-3-yl]methyl]butanamide
CID 52514335

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-(2-methylbenzoyl)piperidin-3-yl]methyl]butanamide?
The IUPAC name of N-[[(3R)-1-(2-methylbenzoyl)piperidin-3-yl]methyl]butanamide (CID 95304598) is N-[[(3R)-1-(2-methylbenzoyl)piperidin-3-yl]methyl]butanamide.
What is the SMILES notation for N-[[(3R)-1-(2-methylbenzoyl)piperidin-3-yl]methyl]butanamide?
The canonical SMILES for N-[[(3R)-1-(2-methylbenzoyl)piperidin-3-yl]methyl]butanamide is CCCC(=O)NC[C@H]1CCCN(C(=O)c2ccccc2C)C1.
What is the InChIKey of N-[[(3R)-1-(2-methylbenzoyl)piperidin-3-yl]methyl]butanamide?
The InChIKey is YOVGHVXHTMLQMP-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-3-7-17(21)19-12-15-9-6-11-20(13-15)18(22)16-10-5-4-8-14(16)2/h4-5,8,10,15H,3,6-7,9,11-13H2,1-2H3,(H,19,21)/t15-/m1/s1.
What are the key properties of N-[[(3R)-1-(2-methylbenzoyl)piperidin-3-yl]methyl]butanamide?
N-[[(3R)-1-(2-methylbenzoyl)piperidin-3-yl]methyl]butanamide has a molecular weight of 302.42 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-(2-methylbenzoyl)piperidin-3-yl]methyl]butanamide is sourced from PubChem (CID 95304598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).