(2-oxopiperidin-1-yl) 2-[acetyl(2-pyridin-4-ylethyl)amino]-3-pyridin-3-ylpropanoate;dihydrochloride

C22H28Cl2N4O4 — CID 67642263

IUPAC(2-oxopiperidin-1-yl) 2-[acetyl(2-pyridin-4-ylethyl)amino]-3-pyridin-3-ylpropanoate;dihydrochloride
SMILESCC(=O)N(CCc1ccncc1)C(Cc1cccnc1)C(=O)ON1CCCCC1=O.Cl.Cl
InChIInChI=1S/C22H26N4O4.2ClH/c1-17(27)25(14-9-18-7-11-23-12-8-18)20(15-19-5-4-10-24-16-19)22(29)30-26-13-3-2-6-21(26)28;;/h4-5,7-8,10-12,16,20H,2-3,6,9,13-15H2,1H3;2*1H
InChIKeyRDOLPFGMZDNULQ-UHFFFAOYSA-N
MW483.40 g/mol
LogP2.79
Rot. Bonds8

About (2-oxopiperidin-1-yl) 2-[acetyl(2-pyridin-4-ylethyl)amino]-3-pyridin-3-ylpropanoate;dihydrochloride

(2-oxopiperidin-1-yl) 2-[acetyl(2-pyridin-4-ylethyl)amino]-3-pyridin-3-ylpropanoate;dihydrochloride (PubChem CID 67642263) has the molecular formula C22H28Cl2N4O4 and a molecular weight of 483.40 g/mol. Its IUPAC name is (2-oxopiperidin-1-yl) 2-[acetyl(2-pyridin-4-ylethyl)amino]-3-pyridin-3-ylpropanoate;dihydrochloride.

Molecular Properties

Compound Name(2-oxopiperidin-1-yl) 2-[acetyl(2-pyridin-4-ylethyl)amino]-3-pyridin-3-ylpropanoate;dihydrochloride
PubChem CID67642263
Molecular FormulaC22H28Cl2N4O4
Molecular Weight483.40 g/mol
Exact Mass482.15
IUPAC Name(2-oxopiperidin-1-yl) 2-[acetyl(2-pyridin-4-ylethyl)amino]-3-pyridin-3-ylpropanoate;dihydrochloride
SMILESCC(=O)N(CCc1ccncc1)C(Cc1cccnc1)C(=O)ON1CCCCC1=O.Cl.Cl
InChIInChI=1S/C22H26N4O4.2ClH/c1-17(27)25(14-9-18-7-11-23-12-8-18)20(15-19-5-4-10-24-16-19)22(29)30-26-13-3-2-6-21(26)28;;/h4-5,7-8,10-12,16,20H,2-3,6,9,13-15H2,1H3;2*1H
InChIKeyRDOLPFGMZDNULQ-UHFFFAOYSA-N
XLogP2.79
TPSA92.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.40
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2-oxopiperidin-1-yl) 2-[acetyl(2-pyridin-4-ylethyl)amino]-3-pyridin-3-ylpropanoate;dihydrochloride with MolForge

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Related Compounds

[2-(diethylamino)-2-oxoethyl] (3S)-3-[acetyl-(2-oxopiperidin-1-yl)amino]-3-pyridin-3-yl-5-pyridin-4-ylpentanoate
CID 67643065
2-[methyl(phenylmethoxycarbonyl)amino]-3-pyridin-3-ylpropanoic acid
CID 156690970
(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-pyridin-3-ylpropanoic acid
CID 69352582
(2S)-4-methyl-2-[methyl(propan-2-yl)amino]-1-pyridin-3-ylpentan-3-one
CID 177080585
2-[[1-(4-tert-butylphenyl)-2-pyridin-3-ylethyl]-(2-pyridin-4-ylethyl)amino]acetamide
CID 142792605
1-[2-[2-phenylethyl(pyridin-3-ylmethyl)amino]ethyl]pyrrolidin-2-one
CID 134700180
1-(2-pyridin-3-ylethyl)pyrrolidin-2-one
CID 59074969
iron(3+);tris(3-(pyridin-3-ylmethyl)pentane-2,4-dione)
CID 159970189
N-[3-(azepan-1-yl)-3-oxopropyl]-N-(pyridin-3-ylmethyl)acetamide
CID 113120425
3-N-methyl-1-N-propan-2-yl-3-N-(2-pyridin-4-ylethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109072454
N',2-dimethyl-N'-(2-pyridin-4-ylethyl)butanediamide
CID 112510368
2-methoxyethyl (2R)-2-amino-3-pyridin-3-ylpropanoate
CID 142428515

Frequently Asked Questions

What is the IUPAC name of (2-oxopiperidin-1-yl) 2-[acetyl(2-pyridin-4-ylethyl)amino]-3-pyridin-3-ylpropanoate;dihydrochloride?
The IUPAC name of (2-oxopiperidin-1-yl) 2-[acetyl(2-pyridin-4-ylethyl)amino]-3-pyridin-3-ylpropanoate;dihydrochloride (CID 67642263) is (2-oxopiperidin-1-yl) 2-[acetyl(2-pyridin-4-ylethyl)amino]-3-pyridin-3-ylpropanoate;dihydrochloride.
What is the SMILES notation for (2-oxopiperidin-1-yl) 2-[acetyl(2-pyridin-4-ylethyl)amino]-3-pyridin-3-ylpropanoate;dihydrochloride?
The canonical SMILES for (2-oxopiperidin-1-yl) 2-[acetyl(2-pyridin-4-ylethyl)amino]-3-pyridin-3-ylpropanoate;dihydrochloride is CC(=O)N(CCc1ccncc1)C(Cc1cccnc1)C(=O)ON1CCCCC1=O.Cl.Cl.
What is the InChIKey of (2-oxopiperidin-1-yl) 2-[acetyl(2-pyridin-4-ylethyl)amino]-3-pyridin-3-ylpropanoate;dihydrochloride?
The InChIKey is RDOLPFGMZDNULQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O4.2ClH/c1-17(27)25(14-9-18-7-11-23-12-8-18)20(15-19-5-4-10-24-16-19)22(29)30-26-13-3-2-6-21(26)28;;/h4-5,7-8,10-12,16,20H,2-3,6,9,13-15H2,1H3;2*1H.
What are the key properties of (2-oxopiperidin-1-yl) 2-[acetyl(2-pyridin-4-ylethyl)amino]-3-pyridin-3-ylpropanoate;dihydrochloride?
(2-oxopiperidin-1-yl) 2-[acetyl(2-pyridin-4-ylethyl)amino]-3-pyridin-3-ylpropanoate;dihydrochloride has a molecular weight of 483.40 g/mol, XLogP of 2.79, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxopiperidin-1-yl) 2-[acetyl(2-pyridin-4-ylethyl)amino]-3-pyridin-3-ylpropanoate;dihydrochloride is sourced from PubChem (CID 67642263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).