methyl 4-[4-[3-[(1-ethylpyrrolidin-2-yl)methylamino]-3-oxopropyl]piperidin-1-yl]-4-oxobutanoate

C20H35N3O4 — CID 45252540

IUPACmethyl 4-[4-[3-[(1-ethylpyrrolidin-2-yl)methylamino]-3-oxopropyl]piperidin-1-yl]-4-oxobutanoate
SMILESCCN1CCCC1CNC(=O)CCC1CCN(C(=O)CCC(=O)OC)CC1
InChIInChI=1S/C20H35N3O4/c1-3-22-12-4-5-17(22)15-21-18(24)7-6-16-10-13-23(14-11-16)19(25)8-9-20(26)27-2/h16-17H,3-15H2,1-2H3,(H,21,24)
InChIKeyOYDANSONVAEXHY-UHFFFAOYSA-N
MW381.52 g/mol
LogP1.56
Rot. Bonds9

About methyl 4-[4-[3-[(1-ethylpyrrolidin-2-yl)methylamino]-3-oxopropyl]piperidin-1-yl]-4-oxobutanoate

methyl 4-[4-[3-[(1-ethylpyrrolidin-2-yl)methylamino]-3-oxopropyl]piperidin-1-yl]-4-oxobutanoate (PubChem CID 45252540) has the molecular formula C20H35N3O4 and a molecular weight of 381.52 g/mol. Its IUPAC name is methyl 4-[4-[3-[(1-ethylpyrrolidin-2-yl)methylamino]-3-oxopropyl]piperidin-1-yl]-4-oxobutanoate.

Molecular Properties

Compound Namemethyl 4-[4-[3-[(1-ethylpyrrolidin-2-yl)methylamino]-3-oxopropyl]piperidin-1-yl]-4-oxobutanoate
PubChem CID45252540
Molecular FormulaC20H35N3O4
Molecular Weight381.52 g/mol
Exact Mass381.26
IUPAC Namemethyl 4-[4-[3-[(1-ethylpyrrolidin-2-yl)methylamino]-3-oxopropyl]piperidin-1-yl]-4-oxobutanoate
SMILESCCN1CCCC1CNC(=O)CCC1CCN(C(=O)CCC(=O)OC)CC1
InChIInChI=1S/C20H35N3O4/c1-3-22-12-4-5-17(22)15-21-18(24)7-6-16-10-13-23(14-11-16)19(25)8-9-20(26)27-2/h16-17H,3-15H2,1-2H3,(H,21,24)
InChIKeyOYDANSONVAEXHY-UHFFFAOYSA-N
XLogP1.56
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 4-[4-[3-[(1-ethylpyrrolidin-2-yl)methylamino]-3-oxopropyl]piperidin-1-yl]-4-oxobutanoate with MolForge

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Related Compounds

N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-[1-(2-pyrazol-1-ylacetyl)piperidin-4-yl]propanamide
CID 42458687
3-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]propanamide
CID 25381201
3-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-N-[(1-ethylpyrrolidin-2-yl)methyl]propanamide
CID 72886773
N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]propanamide
CID 45219288
3-[1-[(5-chloro-2-hydroxyphenyl)methyl]piperidin-4-yl]-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]propanamide
CID 42526692
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-[1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-4-yl]propanamide
CID 42117284
methyl 2-[(1-ethylpyrrolidin-2-yl)methylamino]acetate
CID 43180071
N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperidin-4-yl]propanamide
CID 45215619
3-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-N-[(1-ethylpyrrolidin-2-yl)methyl]propanamide
CID 45171992
5-(dithiolan-3-yl)-N-[(1-ethylpyrrolidin-2-yl)methyl]pentanamide
CID 71826784
methyl 4-[4-[3-[(3-chlorophenyl)methylamino]-3-oxopropyl]piperidin-1-yl]-4-oxobutanoate
CID 26325736
methyl 7-[[N-[(1-ethylpyrrolidin-2-yl)methyl]-N'-methylcarbamimidoyl]amino]heptanoate
CID 111261099

Frequently Asked Questions

What is the IUPAC name of methyl 4-[4-[3-[(1-ethylpyrrolidin-2-yl)methylamino]-3-oxopropyl]piperidin-1-yl]-4-oxobutanoate?
The IUPAC name of methyl 4-[4-[3-[(1-ethylpyrrolidin-2-yl)methylamino]-3-oxopropyl]piperidin-1-yl]-4-oxobutanoate (CID 45252540) is methyl 4-[4-[3-[(1-ethylpyrrolidin-2-yl)methylamino]-3-oxopropyl]piperidin-1-yl]-4-oxobutanoate.
What is the SMILES notation for methyl 4-[4-[3-[(1-ethylpyrrolidin-2-yl)methylamino]-3-oxopropyl]piperidin-1-yl]-4-oxobutanoate?
The canonical SMILES for methyl 4-[4-[3-[(1-ethylpyrrolidin-2-yl)methylamino]-3-oxopropyl]piperidin-1-yl]-4-oxobutanoate is CCN1CCCC1CNC(=O)CCC1CCN(C(=O)CCC(=O)OC)CC1.
What is the InChIKey of methyl 4-[4-[3-[(1-ethylpyrrolidin-2-yl)methylamino]-3-oxopropyl]piperidin-1-yl]-4-oxobutanoate?
The InChIKey is OYDANSONVAEXHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N3O4/c1-3-22-12-4-5-17(22)15-21-18(24)7-6-16-10-13-23(14-11-16)19(25)8-9-20(26)27-2/h16-17H,3-15H2,1-2H3,(H,21,24).
What are the key properties of methyl 4-[4-[3-[(1-ethylpyrrolidin-2-yl)methylamino]-3-oxopropyl]piperidin-1-yl]-4-oxobutanoate?
methyl 4-[4-[3-[(1-ethylpyrrolidin-2-yl)methylamino]-3-oxopropyl]piperidin-1-yl]-4-oxobutanoate has a molecular weight of 381.52 g/mol, XLogP of 1.56, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[4-[3-[(1-ethylpyrrolidin-2-yl)methylamino]-3-oxopropyl]piperidin-1-yl]-4-oxobutanoate is sourced from PubChem (CID 45252540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).