methyl 4-[methyl-(1-methylpiperidin-3-yl)amino]-2-(propylamino)butanoate

C15H31N3O2 — CID 63054708

IUPACmethyl 4-[methyl-(1-methylpiperidin-3-yl)amino]-2-(propylamino)butanoate
SMILESCCCNC(CCN(C)C1CCCN(C)C1)C(=O)OC
InChIInChI=1S/C15H31N3O2/c1-5-9-16-14(15(19)20-4)8-11-18(3)13-7-6-10-17(2)12-13/h13-14,16H,5-12H2,1-4H3
InChIKeyYCUHQMAVFGRDDK-UHFFFAOYSA-N
MW285.43 g/mol
LogP0.94
Rot. Bonds8

About methyl 4-[methyl-(1-methylpiperidin-3-yl)amino]-2-(propylamino)butanoate

methyl 4-[methyl-(1-methylpiperidin-3-yl)amino]-2-(propylamino)butanoate (PubChem CID 63054708) has the molecular formula C15H31N3O2 and a molecular weight of 285.43 g/mol. Its IUPAC name is methyl 4-[methyl-(1-methylpiperidin-3-yl)amino]-2-(propylamino)butanoate.

Molecular Properties

Compound Namemethyl 4-[methyl-(1-methylpiperidin-3-yl)amino]-2-(propylamino)butanoate
PubChem CID63054708
Molecular FormulaC15H31N3O2
Molecular Weight285.43 g/mol
Exact Mass285.24
IUPAC Namemethyl 4-[methyl-(1-methylpiperidin-3-yl)amino]-2-(propylamino)butanoate
SMILESCCCNC(CCN(C)C1CCCN(C)C1)C(=O)OC
InChIInChI=1S/C15H31N3O2/c1-5-9-16-14(15(19)20-4)8-11-18(3)13-7-6-10-17(2)12-13/h13-14,16H,5-12H2,1-4H3
InChIKeyYCUHQMAVFGRDDK-UHFFFAOYSA-N
XLogP0.94
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(methylamino)-4-[methyl-(1-methylpiperidin-3-yl)amino]butanoate
CID 63054552
methyl 4-[(1-ethylpiperidin-4-yl)-methylamino]-2-(propylamino)butanoate
CID 63053941
4-[methyl-(1-methylpiperidin-3-yl)amino]-2-(propylamino)butan-1-ol
CID 64787609
1-N-methyl-1-N-(1-methylpiperidin-3-yl)-3-N-propylbutane-1,3-diamine
CID 62546063
methyl 4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-(propylamino)butanoate
CID 63055230
4-[methyl-(1-methylpiperidin-4-yl)amino]-2-(propylamino)butanoic acid
CID 55144677
methyl 2-amino-3-[methyl-(1-methylpiperidin-3-yl)amino]propanoate
CID 62545953
methyl 4-(dimethylamino)-2-(propylamino)butanoate
CID 63027229
methyl 4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(propylamino)butanoate
CID 65324539
ethyl 3-[methyl-(1-methylpiperidin-3-yl)amino]propanoate
CID 62546082
methyl 4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(propylamino)butanoate
CID 63054403
1-methyl-1-(1-methylpiperidin-3-yl)-3-propylurea
CID 116655563

Frequently Asked Questions

What is the IUPAC name of methyl 4-[methyl-(1-methylpiperidin-3-yl)amino]-2-(propylamino)butanoate?
The IUPAC name of methyl 4-[methyl-(1-methylpiperidin-3-yl)amino]-2-(propylamino)butanoate (CID 63054708) is methyl 4-[methyl-(1-methylpiperidin-3-yl)amino]-2-(propylamino)butanoate.
What is the SMILES notation for methyl 4-[methyl-(1-methylpiperidin-3-yl)amino]-2-(propylamino)butanoate?
The canonical SMILES for methyl 4-[methyl-(1-methylpiperidin-3-yl)amino]-2-(propylamino)butanoate is CCCNC(CCN(C)C1CCCN(C)C1)C(=O)OC.
What is the InChIKey of methyl 4-[methyl-(1-methylpiperidin-3-yl)amino]-2-(propylamino)butanoate?
The InChIKey is YCUHQMAVFGRDDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O2/c1-5-9-16-14(15(19)20-4)8-11-18(3)13-7-6-10-17(2)12-13/h13-14,16H,5-12H2,1-4H3.
What are the key properties of methyl 4-[methyl-(1-methylpiperidin-3-yl)amino]-2-(propylamino)butanoate?
methyl 4-[methyl-(1-methylpiperidin-3-yl)amino]-2-(propylamino)butanoate has a molecular weight of 285.43 g/mol, XLogP of 0.94, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[methyl-(1-methylpiperidin-3-yl)amino]-2-(propylamino)butanoate is sourced from PubChem (CID 63054708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).