ethane;N-(3-ethyl-5-hydroxyphenyl)-3-piperidin-1-ylpropanamide

C18H30N2O2 — CID 142203256

IUPACethane;N-(3-ethyl-5-hydroxyphenyl)-3-piperidin-1-ylpropanamide
SMILESCC.CCc1cc(O)cc(NC(=O)CCN2CCCCC2)c1
InChIInChI=1S/C16H24N2O2.C2H6/c1-2-13-10-14(12-15(19)11-13)17-16(20)6-9-18-7-4-3-5-8-18;1-2/h10-12,19H,2-9H2,1H3,(H,17,20);1-2H3
InChIKeyIKPZAVKFSWSDSI-UHFFFAOYSA-N
MW306.45 g/mol
LogP3.80
Rot. Bonds5

About ethane;N-(3-ethyl-5-hydroxyphenyl)-3-piperidin-1-ylpropanamide

ethane;N-(3-ethyl-5-hydroxyphenyl)-3-piperidin-1-ylpropanamide (PubChem CID 142203256) has the molecular formula C18H30N2O2 and a molecular weight of 306.45 g/mol. Its IUPAC name is ethane;N-(3-ethyl-5-hydroxyphenyl)-3-piperidin-1-ylpropanamide.

Molecular Properties

Compound Nameethane;N-(3-ethyl-5-hydroxyphenyl)-3-piperidin-1-ylpropanamide
PubChem CID142203256
Molecular FormulaC18H30N2O2
Molecular Weight306.45 g/mol
Exact Mass306.23
IUPAC Nameethane;N-(3-ethyl-5-hydroxyphenyl)-3-piperidin-1-ylpropanamide
SMILESCC.CCc1cc(O)cc(NC(=O)CCN2CCCCC2)c1
InChIInChI=1S/C16H24N2O2.C2H6/c1-2-13-10-14(12-15(19)11-13)17-16(20)6-9-18-7-4-3-5-8-18;1-2/h10-12,19H,2-9H2,1H3,(H,17,20);1-2H3
InChIKeyIKPZAVKFSWSDSI-UHFFFAOYSA-N
XLogP3.80
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,5-dimethylphenyl)-3-piperidin-1-ylpropanamide
CID 771509
N-(3,5-dichlorophenyl)-3-piperidin-1-ylpropanamide
CID 23906957
ethane;N-(3-methylphenyl)-3-piperidin-1-ylpropanamide
CID 143383579
N-(3,4-dimethylphenyl)-3-piperidin-1-ylpropanamide
CID 771569
N-(4-acetylphenyl)-3-piperidin-1-ylpropanamide;hydrochloride
CID 155569851
3-(azepan-1-yl)-N-(3,4-dimethoxyphenyl)propanamide
CID 109033634
N-(3-bromo-4-methylphenyl)-3-piperidin-1-ylpropanamide
CID 778184
N-(3,4-dimethylphenyl)-3-piperidin-1-ylpropanamide;oxalic acid
CID 171154670
N-(4-chlorophenyl)-3-piperidin-1-ylpropanamide chloride
CID 45109691
3-piperidin-1-yl-N-(2,4,6-trimethylphenyl)propanamide
CID 683819
3-[3-(azepan-1-yl)propanoylamino]benzoic acid
CID 53215946
3-(azepan-1-yl)-N-(3,4-difluorophenyl)propanamide;hydrochloride
CID 90483211

Frequently Asked Questions

What is the IUPAC name of ethane;N-(3-ethyl-5-hydroxyphenyl)-3-piperidin-1-ylpropanamide?
The IUPAC name of ethane;N-(3-ethyl-5-hydroxyphenyl)-3-piperidin-1-ylpropanamide (CID 142203256) is ethane;N-(3-ethyl-5-hydroxyphenyl)-3-piperidin-1-ylpropanamide.
What is the SMILES notation for ethane;N-(3-ethyl-5-hydroxyphenyl)-3-piperidin-1-ylpropanamide?
The canonical SMILES for ethane;N-(3-ethyl-5-hydroxyphenyl)-3-piperidin-1-ylpropanamide is CC.CCc1cc(O)cc(NC(=O)CCN2CCCCC2)c1.
What is the InChIKey of ethane;N-(3-ethyl-5-hydroxyphenyl)-3-piperidin-1-ylpropanamide?
The InChIKey is IKPZAVKFSWSDSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2.C2H6/c1-2-13-10-14(12-15(19)11-13)17-16(20)6-9-18-7-4-3-5-8-18;1-2/h10-12,19H,2-9H2,1H3,(H,17,20);1-2H3.
What are the key properties of ethane;N-(3-ethyl-5-hydroxyphenyl)-3-piperidin-1-ylpropanamide?
ethane;N-(3-ethyl-5-hydroxyphenyl)-3-piperidin-1-ylpropanamide has a molecular weight of 306.45 g/mol, XLogP of 3.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(3-ethyl-5-hydroxyphenyl)-3-piperidin-1-ylpropanamide is sourced from PubChem (CID 142203256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).