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

Name: Methyl 2-cyclopropyl-3-(4-methoxypiperidin-1-yl)-2-(propylamino)propanoate — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₆H₃₀N₂O₃ — CID 63909725

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

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 Name	Methyl 2-cyclopropyl-3-(4-methoxypiperidin-1-yl)-2-(propylamino)propanoate
PubChem CID	63909725
Molecular Formula	C₁₆H₃₀N₂O₃
Molecular Weight	298.43 g/mol
Exact Mass	298.23
IUPAC Name	methyl 2-cyclopropyl-3-(4-methoxypiperidin-1-yl)-2-(propylamino)propanoate
SMILES	CCCNC(CN1CCC(OC)CC1)(C(=O)OC)C1CC1
InChI	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
InChIKey	ISCXLWINZBJCNI-UHFFFAOYSA-N
XLogP	1.42
TPSA	50.80 Å²
H-Bond Donors	1
H-Bond Acceptors	5
Rotatable Bonds	8
Heavy Atoms	21
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	298.43
LogP ≤ 5	1.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

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).

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Sources

PubChem CID 63909725 — identifiers, structure, computed properties (public domain)

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