2-ethoxy-1-[4-[3-[(3-hydroxyphenyl)methyl]pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone

C21H30N2O4 — CID 166619515

IUPAC2-ethoxy-1-[4-[3-[(3-hydroxyphenyl)methyl]pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone
SMILESCCOCC(=O)N1CCC(C(=O)N2CCC(Cc3cccc(O)c3)C2)CC1
InChIInChI=1S/C21H30N2O4/c1-2-27-15-20(25)22-10-7-18(8-11-22)21(26)23-9-6-17(14-23)12-16-4-3-5-19(24)13-16/h3-5,13,17-18,24H,2,6-12,14-15H2,1H3
InChIKeyDZTMTPJNURKECX-UHFFFAOYSA-N
MW374.48 g/mol
LogP2.06
Rot. Bonds6

About 2-ethoxy-1-[4-[3-[(3-hydroxyphenyl)methyl]pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone

2-ethoxy-1-[4-[3-[(3-hydroxyphenyl)methyl]pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone (PubChem CID 166619515) has the molecular formula C21H30N2O4 and a molecular weight of 374.48 g/mol. Its IUPAC name is 2-ethoxy-1-[4-[3-[(3-hydroxyphenyl)methyl]pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-ethoxy-1-[4-[3-[(3-hydroxyphenyl)methyl]pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone
PubChem CID166619515
Molecular FormulaC21H30N2O4
Molecular Weight374.48 g/mol
Exact Mass374.22
IUPAC Name2-ethoxy-1-[4-[3-[(3-hydroxyphenyl)methyl]pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone
SMILESCCOCC(=O)N1CCC(C(=O)N2CCC(Cc3cccc(O)c3)C2)CC1
InChIInChI=1S/C21H30N2O4/c1-2-27-15-20(25)22-10-7-18(8-11-22)21(26)23-9-6-17(14-23)12-16-4-3-5-19(24)13-16/h3-5,13,17-18,24H,2,6-12,14-15H2,1H3
InChIKeyDZTMTPJNURKECX-UHFFFAOYSA-N
XLogP2.06
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-ethoxy-1-[4-[3-[(3-hydroxyphenyl)methyl]pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-[(3-hydroxyphenyl)methyl]pyrrolidin-1-yl]-2-piperidin-1-ylethanone
CID 166623031
3-[[(3S)-1-(oxane-4-carbonyl)pyrrolidin-3-yl]methyl]benzamide
CID 97134086
N-[4-[3-[(3-hydroxyphenyl)methyl]pyrrolidin-1-yl]-4-oxobutyl]acetamide
CID 166616269
[3-[(3-hydroxyphenyl)methyl]pyrrolidin-1-yl]-(5-methyl-3-pyridinyl)methanone
CID 166615057
(3-benzylpyrrolidin-1-yl)-cyclobutylmethanone
CID 110874334
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-ethoxyethanone
CID 60637524
[3-[(3-hydroxyphenyl)methyl]pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 166613031
1-[4-(chloromethyl)piperidin-1-yl]-2-ethoxyethanone
CID 63397851
ethyl 4-(4-benzylpiperidine-1-carbonyl)piperidine-1-carboxylate
CID 113005741
2-ethoxy-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone
CID 60958052
[3-[(3-hydroxyphenyl)methyl]pyrrolidin-1-yl]-(3-methylimidazo[4,5-b]pyridin-6-yl)methanone
CID 176504679
cyclobutyl-[(3S)-3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]methanone
CID 97133116

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-[4-[3-[(3-hydroxyphenyl)methyl]pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone?
The IUPAC name of 2-ethoxy-1-[4-[3-[(3-hydroxyphenyl)methyl]pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone (CID 166619515) is 2-ethoxy-1-[4-[3-[(3-hydroxyphenyl)methyl]pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-ethoxy-1-[4-[3-[(3-hydroxyphenyl)methyl]pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-ethoxy-1-[4-[3-[(3-hydroxyphenyl)methyl]pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone is CCOCC(=O)N1CCC(C(=O)N2CCC(Cc3cccc(O)c3)C2)CC1.
What is the InChIKey of 2-ethoxy-1-[4-[3-[(3-hydroxyphenyl)methyl]pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone?
The InChIKey is DZTMTPJNURKECX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O4/c1-2-27-15-20(25)22-10-7-18(8-11-22)21(26)23-9-6-17(14-23)12-16-4-3-5-19(24)13-16/h3-5,13,17-18,24H,2,6-12,14-15H2,1H3.
What are the key properties of 2-ethoxy-1-[4-[3-[(3-hydroxyphenyl)methyl]pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone?
2-ethoxy-1-[4-[3-[(3-hydroxyphenyl)methyl]pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone has a molecular weight of 374.48 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-[4-[3-[(3-hydroxyphenyl)methyl]pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 166619515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).