N-ethyl-N-[1-(3-hydroxyphenyl)ethyl]-4-methylpiperidine-2-carboxamide

C17H26N2O2 — CID 114423553

IUPACN-ethyl-N-[1-(3-hydroxyphenyl)ethyl]-4-methylpiperidine-2-carboxamide
SMILESCCN(C(=O)C1CC(C)CCN1)C(C)c1cccc(O)c1
InChIInChI=1S/C17H26N2O2/c1-4-19(13(3)14-6-5-7-15(20)11-14)17(21)16-10-12(2)8-9-18-16/h5-7,11-13,16,18,20H,4,8-10H2,1-3H3
InChIKeyBTUNDMLHKQJUQA-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.69
Rot. Bonds4

About N-ethyl-N-[1-(3-hydroxyphenyl)ethyl]-4-methylpiperidine-2-carboxamide

N-ethyl-N-[1-(3-hydroxyphenyl)ethyl]-4-methylpiperidine-2-carboxamide (PubChem CID 114423553) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-ethyl-N-[1-(3-hydroxyphenyl)ethyl]-4-methylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[1-(3-hydroxyphenyl)ethyl]-4-methylpiperidine-2-carboxamide
PubChem CID114423553
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN-ethyl-N-[1-(3-hydroxyphenyl)ethyl]-4-methylpiperidine-2-carboxamide
SMILESCCN(C(=O)C1CC(C)CCN1)C(C)c1cccc(O)c1
InChIInChI=1S/C17H26N2O2/c1-4-19(13(3)14-6-5-7-15(20)11-14)17(21)16-10-12(2)8-9-18-16/h5-7,11-13,16,18,20H,4,8-10H2,1-3H3
InChIKeyBTUNDMLHKQJUQA-UHFFFAOYSA-N
XLogP2.69
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-4-hydroxy-N-[1-(3-hydroxyphenyl)ethyl]pyrrolidine-2-carboxamide
CID 60953284
N-ethyl-4-methyl-N-propan-2-ylpiperidine-2-carboxamide
CID 114422779
4-methyl-N-propan-2-yl-N-propylpiperidine-2-carboxamide
CID 114422783
4-[ethyl-[1-(3-hydroxyphenyl)ethyl]amino]-2,2-dimethyl-4-oxobutanoic acid
CID 65302133
(2S)-2-amino-N-ethyl-N-[1-(3-hydroxyphenyl)ethyl]-3-methylbutanamide
CID 61164790
N-ethyl-N-[1-(3-hydroxyphenyl)ethyl]-2-methoxypropanamide
CID 112696419
3-[(2S)-butan-2-yl]-1-ethyl-1-[(1S)-1-(3-hydroxyphenyl)ethyl]urea
CID 94797724
N-(4-hydroxyphenyl)-N,4-dimethylpiperidine-2-carboxamide
CID 107734352
2-[2-[ethyl-[1-(3-hydroxyphenyl)ethyl]amino]-2-oxoethoxy]acetic acid
CID 61327317
N-ethyl-N-[1-(4-fluorophenyl)ethyl]azepane-2-carboxamide
CID 64563430
cis-(1S,2R)-2-[ethyl-[(1R)-1-(3-methoxyphenyl)ethyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 125131878
N-[1-(3-chlorophenyl)ethyl]-4-methylpiperidine-2-carboxamide
CID 114423587

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[1-(3-hydroxyphenyl)ethyl]-4-methylpiperidine-2-carboxamide?
The IUPAC name of N-ethyl-N-[1-(3-hydroxyphenyl)ethyl]-4-methylpiperidine-2-carboxamide (CID 114423553) is N-ethyl-N-[1-(3-hydroxyphenyl)ethyl]-4-methylpiperidine-2-carboxamide.
What is the SMILES notation for N-ethyl-N-[1-(3-hydroxyphenyl)ethyl]-4-methylpiperidine-2-carboxamide?
The canonical SMILES for N-ethyl-N-[1-(3-hydroxyphenyl)ethyl]-4-methylpiperidine-2-carboxamide is CCN(C(=O)C1CC(C)CCN1)C(C)c1cccc(O)c1.
What is the InChIKey of N-ethyl-N-[1-(3-hydroxyphenyl)ethyl]-4-methylpiperidine-2-carboxamide?
The InChIKey is BTUNDMLHKQJUQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-4-19(13(3)14-6-5-7-15(20)11-14)17(21)16-10-12(2)8-9-18-16/h5-7,11-13,16,18,20H,4,8-10H2,1-3H3.
What are the key properties of N-ethyl-N-[1-(3-hydroxyphenyl)ethyl]-4-methylpiperidine-2-carboxamide?
N-ethyl-N-[1-(3-hydroxyphenyl)ethyl]-4-methylpiperidine-2-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[1-(3-hydroxyphenyl)ethyl]-4-methylpiperidine-2-carboxamide is sourced from PubChem (CID 114423553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).