N-[2-[(3R)-1-ethylpiperidin-3-yl]ethyl]-4-hydroxy-3-methylbenzamide

C17H26N2O2 — CID 95209754

IUPACN-[2-[(3R)-1-ethylpiperidin-3-yl]ethyl]-4-hydroxy-3-methylbenzamide
SMILESCCN1CCC[C@H](CCNC(=O)c2ccc(O)c(C)c2)C1
InChIInChI=1S/C17H26N2O2/c1-3-19-10-4-5-14(12-19)8-9-18-17(21)15-6-7-16(20)13(2)11-15/h6-7,11,14,20H,3-5,8-10,12H2,1-2H3,(H,18,21)/t14-/m1/s1
InChIKeyTZRWMMBZPUCHDK-CQSZACIVSA-N
MW290.41 g/mol
LogP2.55
Rot. Bonds5

About N-[2-[(3R)-1-ethylpiperidin-3-yl]ethyl]-4-hydroxy-3-methylbenzamide

N-[2-[(3R)-1-ethylpiperidin-3-yl]ethyl]-4-hydroxy-3-methylbenzamide (PubChem CID 95209754) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-[2-[(3R)-1-ethylpiperidin-3-yl]ethyl]-4-hydroxy-3-methylbenzamide.

Molecular Properties

Compound NameN-[2-[(3R)-1-ethylpiperidin-3-yl]ethyl]-4-hydroxy-3-methylbenzamide
PubChem CID95209754
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN-[2-[(3R)-1-ethylpiperidin-3-yl]ethyl]-4-hydroxy-3-methylbenzamide
SMILESCCN1CCC[C@H](CCNC(=O)c2ccc(O)c(C)c2)C1
InChIInChI=1S/C17H26N2O2/c1-3-19-10-4-5-14(12-19)8-9-18-17(21)15-6-7-16(20)13(2)11-15/h6-7,11,14,20H,3-5,8-10,12H2,1-2H3,(H,18,21)/t14-/m1/s1
InChIKeyTZRWMMBZPUCHDK-CQSZACIVSA-N
XLogP2.55
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(3R)-1-ethylpiperidin-3-yl]ethyl]-4-hydroxy-3-methylbenzamide?
The IUPAC name of N-[2-[(3R)-1-ethylpiperidin-3-yl]ethyl]-4-hydroxy-3-methylbenzamide (CID 95209754) is N-[2-[(3R)-1-ethylpiperidin-3-yl]ethyl]-4-hydroxy-3-methylbenzamide.
What is the SMILES notation for N-[2-[(3R)-1-ethylpiperidin-3-yl]ethyl]-4-hydroxy-3-methylbenzamide?
The canonical SMILES for N-[2-[(3R)-1-ethylpiperidin-3-yl]ethyl]-4-hydroxy-3-methylbenzamide is CCN1CCC[C@H](CCNC(=O)c2ccc(O)c(C)c2)C1.
What is the InChIKey of N-[2-[(3R)-1-ethylpiperidin-3-yl]ethyl]-4-hydroxy-3-methylbenzamide?
The InChIKey is TZRWMMBZPUCHDK-CQSZACIVSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-3-19-10-4-5-14(12-19)8-9-18-17(21)15-6-7-16(20)13(2)11-15/h6-7,11,14,20H,3-5,8-10,12H2,1-2H3,(H,18,21)/t14-/m1/s1.
What are the key properties of N-[2-[(3R)-1-ethylpiperidin-3-yl]ethyl]-4-hydroxy-3-methylbenzamide?
N-[2-[(3R)-1-ethylpiperidin-3-yl]ethyl]-4-hydroxy-3-methylbenzamide has a molecular weight of 290.41 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3R)-1-ethylpiperidin-3-yl]ethyl]-4-hydroxy-3-methylbenzamide is sourced from PubChem (CID 95209754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).