N-[(1R)-1-(2-ethoxyphenyl)-3-oxo-3-piperidin-1-ylpropyl]acetamide

C18H26N2O3 — CID 95282390

IUPACN-[(1R)-1-(2-ethoxyphenyl)-3-oxo-3-piperidin-1-ylpropyl]acetamide
SMILESCCOc1ccccc1[C@@H](CC(=O)N1CCCCC1)NC(C)=O
InChIInChI=1S/C18H26N2O3/c1-3-23-17-10-6-5-9-15(17)16(19-14(2)21)13-18(22)20-11-7-4-8-12-20/h5-6,9-10,16H,3-4,7-8,11-13H2,1-2H3,(H,19,21)/t16-/m1/s1
InChIKeyDANZOLAUWKXWOQ-MRXNPFEDSA-N
MW318.42 g/mol
LogP2.67
Rot. Bonds6

About N-[(1R)-1-(2-ethoxyphenyl)-3-oxo-3-piperidin-1-ylpropyl]acetamide

N-[(1R)-1-(2-ethoxyphenyl)-3-oxo-3-piperidin-1-ylpropyl]acetamide (PubChem CID 95282390) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-[(1R)-1-(2-ethoxyphenyl)-3-oxo-3-piperidin-1-ylpropyl]acetamide.

Molecular Properties

Compound NameN-[(1R)-1-(2-ethoxyphenyl)-3-oxo-3-piperidin-1-ylpropyl]acetamide
PubChem CID95282390
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC NameN-[(1R)-1-(2-ethoxyphenyl)-3-oxo-3-piperidin-1-ylpropyl]acetamide
SMILESCCOc1ccccc1[C@@H](CC(=O)N1CCCCC1)NC(C)=O
InChIInChI=1S/C18H26N2O3/c1-3-23-17-10-6-5-9-15(17)16(19-14(2)21)13-18(22)20-11-7-4-8-12-20/h5-6,9-10,16H,3-4,7-8,11-13H2,1-2H3,(H,19,21)/t16-/m1/s1
InChIKeyDANZOLAUWKXWOQ-MRXNPFEDSA-N
XLogP2.67
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-ethoxyphenyl)-3-[3-(methylamino)piperidin-1-yl]-3-oxopropyl]acetamide
CID 119489700
(2R)-1-[(3S)-3-acetamido-3-(2-ethoxyphenyl)propanoyl]piperidine-2-carboxylic acid
CID 129467398
N-[3-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-1-(2-ethoxyphenyl)-3-oxopropyl]acetamide;hydrochloride
CID 120659450
3-acetamido-N-(2-amino-2-methylpropyl)-3-(2-ethoxyphenyl)propanamide
CID 119627423
2-methoxy-N-[(1S)-1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]acetamide
CID 94620134
3-acetamido-N-[1-(aminomethyl)cyclopentyl]-3-(2-ethoxyphenyl)propanamide
CID 119566114
3-[[3-acetamido-3-(2-ethoxyphenyl)propanoyl]amino]-2,2-dimethylpropanoic acid
CID 119250389
3-acetamido-3-(2-ethoxyphenyl)-N-(2-piperazin-1-ylethyl)propanamide
CID 119446350
2-[2-[(1S)-1-hydroxypropyl]phenoxy]-1-piperidin-1-ylethanone
CID 78930779
3-acetamido-N-(1-aminopropan-2-yl)-3-(2-ethoxyphenyl)-N-methylpropanamide
CID 119582642
3-[[3-acetamido-3-(2-ethoxyphenyl)propanoyl]amino]-2-methylpropanoic acid
CID 119237711
3-acetamido-3-(2-ethoxyphenyl)-N-[2-(methylamino)propyl]propanamide
CID 120830987

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2-ethoxyphenyl)-3-oxo-3-piperidin-1-ylpropyl]acetamide?
The IUPAC name of N-[(1R)-1-(2-ethoxyphenyl)-3-oxo-3-piperidin-1-ylpropyl]acetamide (CID 95282390) is N-[(1R)-1-(2-ethoxyphenyl)-3-oxo-3-piperidin-1-ylpropyl]acetamide.
What is the SMILES notation for N-[(1R)-1-(2-ethoxyphenyl)-3-oxo-3-piperidin-1-ylpropyl]acetamide?
The canonical SMILES for N-[(1R)-1-(2-ethoxyphenyl)-3-oxo-3-piperidin-1-ylpropyl]acetamide is CCOc1ccccc1[C@@H](CC(=O)N1CCCCC1)NC(C)=O.
What is the InChIKey of N-[(1R)-1-(2-ethoxyphenyl)-3-oxo-3-piperidin-1-ylpropyl]acetamide?
The InChIKey is DANZOLAUWKXWOQ-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-3-23-17-10-6-5-9-15(17)16(19-14(2)21)13-18(22)20-11-7-4-8-12-20/h5-6,9-10,16H,3-4,7-8,11-13H2,1-2H3,(H,19,21)/t16-/m1/s1.
What are the key properties of N-[(1R)-1-(2-ethoxyphenyl)-3-oxo-3-piperidin-1-ylpropyl]acetamide?
N-[(1R)-1-(2-ethoxyphenyl)-3-oxo-3-piperidin-1-ylpropyl]acetamide has a molecular weight of 318.42 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2-ethoxyphenyl)-3-oxo-3-piperidin-1-ylpropyl]acetamide is sourced from PubChem (CID 95282390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).