4-[(1-methylpiperidin-4-yl)-(2-morpholin-4-ylethyl)amino]-4-oxobutanoic acid

C16H29N3O4 — CID 3471112

IUPAC4-[(1-methylpiperidin-4-yl)-(2-morpholin-4-ylethyl)amino]-4-oxobutanoic acid
SMILESCN1CCC(N(CCN2CCOCC2)C(=O)CCC(=O)O)CC1
InChIInChI=1S/C16H29N3O4/c1-17-6-4-14(5-7-17)19(15(20)2-3-16(21)22)9-8-18-10-12-23-13-11-18/h14H,2-13H2,1H3,(H,21,22)
InChIKeyHJOJDUPDRCEXCZ-UHFFFAOYSA-N
MW327.43 g/mol
LogP0.11
Rot. Bonds7

About 4-[(1-methylpiperidin-4-yl)-(2-morpholin-4-ylethyl)amino]-4-oxobutanoic acid

4-[(1-methylpiperidin-4-yl)-(2-morpholin-4-ylethyl)amino]-4-oxobutanoic acid (PubChem CID 3471112) has the molecular formula C16H29N3O4 and a molecular weight of 327.43 g/mol. Its IUPAC name is 4-[(1-methylpiperidin-4-yl)-(2-morpholin-4-ylethyl)amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[(1-methylpiperidin-4-yl)-(2-morpholin-4-ylethyl)amino]-4-oxobutanoic acid
PubChem CID3471112
Molecular FormulaC16H29N3O4
Molecular Weight327.43 g/mol
Exact Mass327.22
IUPAC Name4-[(1-methylpiperidin-4-yl)-(2-morpholin-4-ylethyl)amino]-4-oxobutanoic acid
SMILESCN1CCC(N(CCN2CCOCC2)C(=O)CCC(=O)O)CC1
InChIInChI=1S/C16H29N3O4/c1-17-6-4-14(5-7-17)19(15(20)2-3-16(21)22)9-8-18-10-12-23-13-11-18/h14H,2-13H2,1H3,(H,21,22)
InChIKeyHJOJDUPDRCEXCZ-UHFFFAOYSA-N
XLogP0.11
TPSA73.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[(1-methylpiperidin-4-yl)-(2-morpholin-4-ylethyl)amino]-4-oxobutanoic acid with MolForge

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Related Compounds

Sdccgsbi-0662510.P001
CID 134787962
2-Morpholin-4-ylethyl 4-(4-methylpiperazin-1-yl)-4-oxobutanoate
CID 57973663
3-Morpholin-4-ylpropyl 4-(4-methylpiperazin-1-yl)-4-oxobutanoate
CID 57973680
4-[4-(1-Methylpiperidin-4-yl)piperazin-1-yl]-4-oxobutanoic acid
CID 58135798
2-Morpholin-4-ylethyl 4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-4-oxobutanoate
CID 58135799
Ethyl 4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-4-oxobutanoate
CID 58135803
3-Morpholin-4-ylpropyl 4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-oxobutanoate
CID 58135811
2-(2-Oxopyrrolidin-1-yl)ethyl 4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-oxobutanoate
CID 58135844
2-(Dimethylamino)ethyl 4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-4-oxobutanoate
CID 58135848
4-[4-(4-Methylpiperazin-1-yl)piperidin-1-yl]-4-oxobutanoic acid
CID 58135894
2-(2-Oxopyrrolidin-1-yl)ethyl 4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-4-oxobutanoate
CID 58135908
[2-(Dimethylamino)-2-oxoethyl] 4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-oxobutanoate
CID 58135915

Frequently Asked Questions

What is the IUPAC name of 4-[(1-methylpiperidin-4-yl)-(2-morpholin-4-ylethyl)amino]-4-oxobutanoic acid?
The IUPAC name of 4-[(1-methylpiperidin-4-yl)-(2-morpholin-4-ylethyl)amino]-4-oxobutanoic acid (CID 3471112) is 4-[(1-methylpiperidin-4-yl)-(2-morpholin-4-ylethyl)amino]-4-oxobutanoic acid.
What is the SMILES notation for 4-[(1-methylpiperidin-4-yl)-(2-morpholin-4-ylethyl)amino]-4-oxobutanoic acid?
The canonical SMILES for 4-[(1-methylpiperidin-4-yl)-(2-morpholin-4-ylethyl)amino]-4-oxobutanoic acid is CN1CCC(N(CCN2CCOCC2)C(=O)CCC(=O)O)CC1.
What is the InChIKey of 4-[(1-methylpiperidin-4-yl)-(2-morpholin-4-ylethyl)amino]-4-oxobutanoic acid?
The InChIKey is HJOJDUPDRCEXCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O4/c1-17-6-4-14(5-7-17)19(15(20)2-3-16(21)22)9-8-18-10-12-23-13-11-18/h14H,2-13H2,1H3,(H,21,22).
What are the key properties of 4-[(1-methylpiperidin-4-yl)-(2-morpholin-4-ylethyl)amino]-4-oxobutanoic acid?
4-[(1-methylpiperidin-4-yl)-(2-morpholin-4-ylethyl)amino]-4-oxobutanoic acid has a molecular weight of 327.43 g/mol, XLogP of 0.11, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methylpiperidin-4-yl)-(2-morpholin-4-ylethyl)amino]-4-oxobutanoic acid is sourced from PubChem (CID 3471112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).