ethyl 1-[2-[2-oxo-3-(2-piperidin-4-ylethyl)imidazolidin-1-yl]acetyl]piperidine-4-carboxylate

C20H34N4O4 — CID 70073867

IUPACethyl 1-[2-[2-oxo-3-(2-piperidin-4-ylethyl)imidazolidin-1-yl]acetyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)CN2CCN(CCC3CCNCC3)C2=O)CC1
InChIInChI=1S/C20H34N4O4/c1-2-28-19(26)17-6-11-22(12-7-17)18(25)15-24-14-13-23(20(24)27)10-5-16-3-8-21-9-4-16/h16-17,21H,2-15H2,1H3
InChIKeyNRUIWFIQEDUZNY-UHFFFAOYSA-N
MW394.52 g/mol
LogP0.92
Rot. Bonds7

About ethyl 1-[2-[2-oxo-3-(2-piperidin-4-ylethyl)imidazolidin-1-yl]acetyl]piperidine-4-carboxylate

ethyl 1-[2-[2-oxo-3-(2-piperidin-4-ylethyl)imidazolidin-1-yl]acetyl]piperidine-4-carboxylate (PubChem CID 70073867) has the molecular formula C20H34N4O4 and a molecular weight of 394.52 g/mol. Its IUPAC name is ethyl 1-[2-[2-oxo-3-(2-piperidin-4-ylethyl)imidazolidin-1-yl]acetyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-[2-oxo-3-(2-piperidin-4-ylethyl)imidazolidin-1-yl]acetyl]piperidine-4-carboxylate
PubChem CID70073867
Molecular FormulaC20H34N4O4
Molecular Weight394.52 g/mol
Exact Mass394.26
IUPAC Nameethyl 1-[2-[2-oxo-3-(2-piperidin-4-ylethyl)imidazolidin-1-yl]acetyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)CN2CCN(CCC3CCNCC3)C2=O)CC1
InChIInChI=1S/C20H34N4O4/c1-2-28-19(26)17-6-11-22(12-7-17)18(25)15-24-14-13-23(20(24)27)10-5-16-3-8-21-9-4-16/h16-17,21H,2-15H2,1H3
InChIKeyNRUIWFIQEDUZNY-UHFFFAOYSA-N
XLogP0.92
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 1-[2-[2-oxo-3-(2-piperidin-4-ylethyl)imidazolidin-1-yl]acetyl]piperidine-4-carboxylate with MolForge

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Related Compounds

Ethyl 1-[2-[2-oxo-3-(2-piperidin-4-ylethyl)imidazolidin-4-yl]acetyl]piperidine-4-carboxylate;2,2,2-trifluoroacetic acid
CID 67577967
Ethyl 1-[2-[2-oxo-3-(2-piperidin-4-ylethyl)imidazolidin-1-yl]acetyl]piperidine-4-carboxylate;2,2,2-trifluoroacetic acid
CID 70073866
Ethyl 1-[2-[2-oxo-3-(2-piperidin-4-ylethyl)-4-(2,2,2-trifluoroacetyl)oxyimidazolidin-1-yl]acetyl]piperidine-4-carboxylate
CID 140383926
ethyl 4-oxo-4-[[(2S)-1-oxo-1-[4-(piperidine-1-carbonyl)piperidin-1-yl]propan-2-yl]amino]butanoate
CID 71959944
1-[2-[2-Oxo-3-(2-piperidin-4-ylethyl)imidazolidin-1-yl]acetyl]piperidine-4-carboxylic acid
CID 67578136
Tert-butyl 4-[2-[3-[2-(4-ethoxycarbonylpiperidin-1-yl)-2-oxoethyl]-2-oxoimidazolidin-1-yl]ethyl]piperidine-1-carboxylate
CID 70075049
ethyl 1-[(2S)-4-methyl-2-[(3S)-3-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]piperidine-4-carboxylate
CID 138685301
ethyl 1-[4-methyl-2-[(3S)-3-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]piperidine-4-carboxylate
CID 138685303
Ethyl 1-[4-methyl-2-[3-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]piperidine-4-carboxylate
CID 138685305
3-methylbutyl 1-[(2S)-4-methyl-2-[(3S)-3-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]piperidine-4-carboxylate
CID 138685695
3-methylbutyl 1-[4-methyl-2-[(3S)-3-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]piperidine-4-carboxylate
CID 138685696
3-Methylbutyl 1-[4-methyl-2-[3-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]piperidine-4-carboxylate
CID 138685697

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-[2-oxo-3-(2-piperidin-4-ylethyl)imidazolidin-1-yl]acetyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-[2-oxo-3-(2-piperidin-4-ylethyl)imidazolidin-1-yl]acetyl]piperidine-4-carboxylate (CID 70073867) is ethyl 1-[2-[2-oxo-3-(2-piperidin-4-ylethyl)imidazolidin-1-yl]acetyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-[2-oxo-3-(2-piperidin-4-ylethyl)imidazolidin-1-yl]acetyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-[2-oxo-3-(2-piperidin-4-ylethyl)imidazolidin-1-yl]acetyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)CN2CCN(CCC3CCNCC3)C2=O)CC1.
What is the InChIKey of ethyl 1-[2-[2-oxo-3-(2-piperidin-4-ylethyl)imidazolidin-1-yl]acetyl]piperidine-4-carboxylate?
The InChIKey is NRUIWFIQEDUZNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N4O4/c1-2-28-19(26)17-6-11-22(12-7-17)18(25)15-24-14-13-23(20(24)27)10-5-16-3-8-21-9-4-16/h16-17,21H,2-15H2,1H3.
What are the key properties of ethyl 1-[2-[2-oxo-3-(2-piperidin-4-ylethyl)imidazolidin-1-yl]acetyl]piperidine-4-carboxylate?
ethyl 1-[2-[2-oxo-3-(2-piperidin-4-ylethyl)imidazolidin-1-yl]acetyl]piperidine-4-carboxylate has a molecular weight of 394.52 g/mol, XLogP of 0.92, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-[2-oxo-3-(2-piperidin-4-ylethyl)imidazolidin-1-yl]acetyl]piperidine-4-carboxylate is sourced from PubChem (CID 70073867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).