methyl 2-cyclopropyl-3-(4-methoxypiperidin-1-yl)-2-(propylamino)propanoate

C16H30N2O3 — CID 63909725

IUPACmethyl 2-cyclopropyl-3-(4-methoxypiperidin-1-yl)-2-(propylamino)propanoate
SMILESCCCNC(CN1CCC(OC)CC1)(C(=O)OC)C1CC1
InChIInChI=1S/C16H30N2O3/c1-4-9-17-16(13-5-6-13,15(19)21-3)12-18-10-7-14(20-2)8-11-18/h13-14,17H,4-12H2,1-3H3
InChIKeyISCXLWINZBJCNI-UHFFFAOYSA-N
MW298.43 g/mol
LogP1.42
Rot. Bonds8

About methyl 2-cyclopropyl-3-(4-methoxypiperidin-1-yl)-2-(propylamino)propanoate

methyl 2-cyclopropyl-3-(4-methoxypiperidin-1-yl)-2-(propylamino)propanoate (PubChem CID 63909725) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is methyl 2-cyclopropyl-3-(4-methoxypiperidin-1-yl)-2-(propylamino)propanoate.

Molecular Properties

Compound Namemethyl 2-cyclopropyl-3-(4-methoxypiperidin-1-yl)-2-(propylamino)propanoate
PubChem CID63909725
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Namemethyl 2-cyclopropyl-3-(4-methoxypiperidin-1-yl)-2-(propylamino)propanoate
SMILESCCCNC(CN1CCC(OC)CC1)(C(=O)OC)C1CC1
InChIInChI=1S/C16H30N2O3/c1-4-9-17-16(13-5-6-13,15(19)21-3)12-18-10-7-14(20-2)8-11-18/h13-14,17H,4-12H2,1-3H3
InChIKeyISCXLWINZBJCNI-UHFFFAOYSA-N
XLogP1.42
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclopropyl-3-(4-methoxypiperidin-1-yl)-2-(propylamino)propanamide
CID 63910704
methyl 2-cyclopropyl-3-(2,6-dimethylmorpholin-4-yl)-2-(propylamino)propanoate
CID 63906853
2-cyclopropyl-2-(propylamino)-3-pyrrolidin-1-ylpropanoic acid
CID 63907207
2-cyclopropyl-3-(4-methylazepan-1-yl)-2-(propylamino)propanoic acid
CID 63928067
methyl 2-amino-2-cyclopropyl-3-(3-methoxypyrrolidin-1-yl)propanoate
CID 103538014
methyl 2-cyclopropyl-2-(propylamino)-3-(2,2,2-trifluoroethoxy)propanoate
CID 63918602
methyl 2-cyclopropyl-2-(methylamino)-3-(4-methylazepan-1-yl)propanoate
CID 63927664
methyl 2-cyclopropyl-3-(oxolan-3-yloxy)-2-(propylamino)propanoate
CID 63921206
ethyl 2-cyclopropyl-3-(2-methylpiperidin-1-yl)-2-(propylamino)propanoate
CID 63907026
methyl 2-cyclopropyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-(propylamino)propanoate
CID 115942540
methyl 2-cyclopropyl-3-[cyclopropylmethyl(ethyl)amino]-2-(propylamino)propanoate
CID 63956079
methyl 3-[butyl(ethyl)amino]-2-cyclopropyl-2-(propylamino)propanoate
CID 63906340

Frequently Asked Questions

What is the IUPAC name of methyl 2-cyclopropyl-3-(4-methoxypiperidin-1-yl)-2-(propylamino)propanoate?
The IUPAC name of methyl 2-cyclopropyl-3-(4-methoxypiperidin-1-yl)-2-(propylamino)propanoate (CID 63909725) is methyl 2-cyclopropyl-3-(4-methoxypiperidin-1-yl)-2-(propylamino)propanoate.
What is the SMILES notation for methyl 2-cyclopropyl-3-(4-methoxypiperidin-1-yl)-2-(propylamino)propanoate?
The canonical SMILES for methyl 2-cyclopropyl-3-(4-methoxypiperidin-1-yl)-2-(propylamino)propanoate is CCCNC(CN1CCC(OC)CC1)(C(=O)OC)C1CC1.
What is the InChIKey of methyl 2-cyclopropyl-3-(4-methoxypiperidin-1-yl)-2-(propylamino)propanoate?
The InChIKey is ISCXLWINZBJCNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-4-9-17-16(13-5-6-13,15(19)21-3)12-18-10-7-14(20-2)8-11-18/h13-14,17H,4-12H2,1-3H3.
What are the key properties of methyl 2-cyclopropyl-3-(4-methoxypiperidin-1-yl)-2-(propylamino)propanoate?
methyl 2-cyclopropyl-3-(4-methoxypiperidin-1-yl)-2-(propylamino)propanoate has a molecular weight of 298.43 g/mol, XLogP of 1.42, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-cyclopropyl-3-(4-methoxypiperidin-1-yl)-2-(propylamino)propanoate is sourced from PubChem (CID 63909725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).