3-[(3R)-1-[(2-ethylphenyl)methyl]piperidin-3-yl]propanamide

C17H26N2O — CID 95716606

IUPAC3-[(3R)-1-[(2-ethylphenyl)methyl]piperidin-3-yl]propanamide
SMILESCCc1ccccc1CN1CCC[C@H](CCC(N)=O)C1
InChIInChI=1S/C17H26N2O/c1-2-15-7-3-4-8-16(15)13-19-11-5-6-14(12-19)9-10-17(18)20/h3-4,7-8,14H,2,5-6,9-13H2,1H3,(H2,18,20)/t14-/m1/s1
InChIKeyINUWXFUYCGMGDY-CQSZACIVSA-N
MW274.41 g/mol
LogP2.73
Rot. Bonds6

About 3-[(3R)-1-[(2-ethylphenyl)methyl]piperidin-3-yl]propanamide

3-[(3R)-1-[(2-ethylphenyl)methyl]piperidin-3-yl]propanamide (PubChem CID 95716606) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 3-[(3R)-1-[(2-ethylphenyl)methyl]piperidin-3-yl]propanamide.

Molecular Properties

Compound Name3-[(3R)-1-[(2-ethylphenyl)methyl]piperidin-3-yl]propanamide
PubChem CID95716606
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name3-[(3R)-1-[(2-ethylphenyl)methyl]piperidin-3-yl]propanamide
SMILESCCc1ccccc1CN1CCC[C@H](CCC(N)=O)C1
InChIInChI=1S/C17H26N2O/c1-2-15-7-3-4-8-16(15)13-19-11-5-6-14(12-19)9-10-17(18)20/h3-4,7-8,14H,2,5-6,9-13H2,1H3,(H2,18,20)/t14-/m1/s1
InChIKeyINUWXFUYCGMGDY-CQSZACIVSA-N
XLogP2.73
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]propanamide
CID 75514876
3-[(3R)-1-[(3-chloro-2-fluorophenyl)methyl]piperidin-3-yl]propanamide
CID 97157958
3-[(3S)-1-[(3-methyl-1-phenylpyrazol-4-yl)methyl]piperidin-3-yl]propanamide
CID 95722904
3-[(3S)-1-[(2-methyl-1-benzothiophen-3-yl)methyl]piperidin-3-yl]propanamide
CID 95711145
3-[1-[(Z)-4-methyl-2-phenylpent-2-enyl]piperidin-3-yl]propanamide
CID 131925370
3-[(3S)-1-[(2R)-2-methoxy-2-phenylethyl]piperidin-3-yl]propanamide
CID 124843943
1-[(2-ethylphenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 136534264
3-[1-[(2,4-dimethylphenyl)methyl]piperidin-3-yl]propanoic acid
CID 65072325
3-[1-[(7-methylsulfanyl-2-oxo-1H-quinolin-3-yl)methyl]piperidin-3-yl]propanamide
CID 56721507
2-[2-[[3-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]acetohydrazide
CID 115465290
1-(4-benzylpiperazin-1-yl)-3-[1-[(2-methylphenyl)methyl]piperidin-3-yl]propan-1-one
CID 45184042
2-[2-[[3-(methylaminomethyl)piperidin-1-yl]methyl]phenyl]acetohydrazide
CID 115465497

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-1-[(2-ethylphenyl)methyl]piperidin-3-yl]propanamide?
The IUPAC name of 3-[(3R)-1-[(2-ethylphenyl)methyl]piperidin-3-yl]propanamide (CID 95716606) is 3-[(3R)-1-[(2-ethylphenyl)methyl]piperidin-3-yl]propanamide.
What is the SMILES notation for 3-[(3R)-1-[(2-ethylphenyl)methyl]piperidin-3-yl]propanamide?
The canonical SMILES for 3-[(3R)-1-[(2-ethylphenyl)methyl]piperidin-3-yl]propanamide is CCc1ccccc1CN1CCC[C@H](CCC(N)=O)C1.
What is the InChIKey of 3-[(3R)-1-[(2-ethylphenyl)methyl]piperidin-3-yl]propanamide?
The InChIKey is INUWXFUYCGMGDY-CQSZACIVSA-N. The full InChI is InChI=1S/C17H26N2O/c1-2-15-7-3-4-8-16(15)13-19-11-5-6-14(12-19)9-10-17(18)20/h3-4,7-8,14H,2,5-6,9-13H2,1H3,(H2,18,20)/t14-/m1/s1.
What are the key properties of 3-[(3R)-1-[(2-ethylphenyl)methyl]piperidin-3-yl]propanamide?
3-[(3R)-1-[(2-ethylphenyl)methyl]piperidin-3-yl]propanamide has a molecular weight of 274.41 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-1-[(2-ethylphenyl)methyl]piperidin-3-yl]propanamide is sourced from PubChem (CID 95716606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).