N-[[(3R)-1-(2-methoxybenzoyl)piperidin-3-yl]methyl]-2-methylpropanamide

C18H26N2O3 — CID 95295492

IUPACN-[[(3R)-1-(2-methoxybenzoyl)piperidin-3-yl]methyl]-2-methylpropanamide
SMILESCOc1ccccc1C(=O)N1CCC[C@H](CNC(=O)C(C)C)C1
InChIInChI=1S/C18H26N2O3/c1-13(2)17(21)19-11-14-7-6-10-20(12-14)18(22)15-8-4-5-9-16(15)23-3/h4-5,8-9,13-14H,6-7,10-12H2,1-3H3,(H,19,21)/t14-/m1/s1
InChIKeyVLANWIDZWXCXNO-CQSZACIVSA-N
MW318.42 g/mol
LogP2.32
Rot. Bonds5

About N-[[(3R)-1-(2-methoxybenzoyl)piperidin-3-yl]methyl]-2-methylpropanamide

N-[[(3R)-1-(2-methoxybenzoyl)piperidin-3-yl]methyl]-2-methylpropanamide (PubChem CID 95295492) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-[[(3R)-1-(2-methoxybenzoyl)piperidin-3-yl]methyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[[(3R)-1-(2-methoxybenzoyl)piperidin-3-yl]methyl]-2-methylpropanamide
PubChem CID95295492
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC NameN-[[(3R)-1-(2-methoxybenzoyl)piperidin-3-yl]methyl]-2-methylpropanamide
SMILESCOc1ccccc1C(=O)N1CCC[C@H](CNC(=O)C(C)C)C1
InChIInChI=1S/C18H26N2O3/c1-13(2)17(21)19-11-14-7-6-10-20(12-14)18(22)15-8-4-5-9-16(15)23-3/h4-5,8-9,13-14H,6-7,10-12H2,1-3H3,(H,19,21)/t14-/m1/s1
InChIKeyVLANWIDZWXCXNO-CQSZACIVSA-N
XLogP2.32
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[(3R)-1-(2,3-dimethoxybenzoyl)piperidin-3-yl]methyl]-2-methylpropanamide
CID 94821251
N-[[(3S)-1-(2-ethoxypyridine-3-carbonyl)piperidin-3-yl]methyl]-2-methylpropanamide
CID 94821205
[(3S)-3-aminopiperidin-1-yl]-(2-methoxyphenyl)methanone
CID 129366272
N-[[(3R)-1-(2,4-difluorobenzoyl)piperidin-3-yl]methyl]-2-methylpropanamide
CID 95320812
(3-aminopiperidin-1-yl)-(2-methoxyphenyl)methanone;hydrochloride
CID 119381351
N-[[(3R)-1-(2,6-difluorobenzoyl)piperidin-3-yl]methyl]-2-methylpropanamide
CID 95297629
tert-butyl N-[[(3R)-1-(2-methoxybenzoyl)piperidin-3-yl]methyl]-N-methylcarbamate
CID 52512093
5-[3-[(2-methylpropanoylamino)methyl]piperidine-1-carbonyl]thiophene-2-carboxylic acid
CID 119183250
(5-fluoro-2-methoxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119398683
(2-methoxyphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63248507
(3-bromopiperidin-1-yl)-(2-methoxyphenyl)methanone
CID 80660088
[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone
CID 129367623

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-(2-methoxybenzoyl)piperidin-3-yl]methyl]-2-methylpropanamide?
The IUPAC name of N-[[(3R)-1-(2-methoxybenzoyl)piperidin-3-yl]methyl]-2-methylpropanamide (CID 95295492) is N-[[(3R)-1-(2-methoxybenzoyl)piperidin-3-yl]methyl]-2-methylpropanamide.
What is the SMILES notation for N-[[(3R)-1-(2-methoxybenzoyl)piperidin-3-yl]methyl]-2-methylpropanamide?
The canonical SMILES for N-[[(3R)-1-(2-methoxybenzoyl)piperidin-3-yl]methyl]-2-methylpropanamide is COc1ccccc1C(=O)N1CCC[C@H](CNC(=O)C(C)C)C1.
What is the InChIKey of N-[[(3R)-1-(2-methoxybenzoyl)piperidin-3-yl]methyl]-2-methylpropanamide?
The InChIKey is VLANWIDZWXCXNO-CQSZACIVSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-13(2)17(21)19-11-14-7-6-10-20(12-14)18(22)15-8-4-5-9-16(15)23-3/h4-5,8-9,13-14H,6-7,10-12H2,1-3H3,(H,19,21)/t14-/m1/s1.
What are the key properties of N-[[(3R)-1-(2-methoxybenzoyl)piperidin-3-yl]methyl]-2-methylpropanamide?
N-[[(3R)-1-(2-methoxybenzoyl)piperidin-3-yl]methyl]-2-methylpropanamide has a molecular weight of 318.42 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-(2-methoxybenzoyl)piperidin-3-yl]methyl]-2-methylpropanamide is sourced from PubChem (CID 95295492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).