Ethyl 2-cyclopropyl-2-(ethylamino)-3-(4-ethylpiperazin-1-yl)propanoate

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

C₁₆H₃₁N₃O₂ — CID 63905558

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

IUPACethyl 2-cyclopropyl-2-(ethylamino)-3-(4-ethylpiperazin-1-yl)propanoate

SMILESCCNC(CN1CCN(CC)CC1)(C(=O)OCC)C1CC1

InChIInChI=1S/C16H31N3O2/c1-4-17-16(14-7-8-14,15(20)21-6-3)13-19-11-9-18(5-2)10-12-19/h14,17H,4-13H2,1-3H3

InChIKeyOTNSLYPRTBJFQD-UHFFFAOYSA-N

MW297.44 g/mol

LogP0.95

Rot. Bonds8

About Ethyl 2-cyclopropyl-2-(ethylamino)-3-(4-ethylpiperazin-1-yl)propanoate

Ethyl 2-cyclopropyl-2-(ethylamino)-3-(4-ethylpiperazin-1-yl)propanoate (PubChem CID 63905558) has the molecular formula C₁₆H₃₁N₃O₂ and a molecular weight of 297.44 g/mol. Its IUPAC name is ethyl 2-cyclopropyl-2-(ethylamino)-3-(4-ethylpiperazin-1-yl)propanoate.

Molecular Properties

Compound Name	Ethyl 2-cyclopropyl-2-(ethylamino)-3-(4-ethylpiperazin-1-yl)propanoate
PubChem CID	63905558
Molecular Formula	C₁₆H₃₁N₃O₂
Molecular Weight	297.44 g/mol
Exact Mass	297.24
IUPAC Name	ethyl 2-cyclopropyl-2-(ethylamino)-3-(4-ethylpiperazin-1-yl)propanoate
SMILES	CCNC(CN1CCN(CC)CC1)(C(=O)OCC)C1CC1
InChI	InChI=1S/C16H31N3O2/c1-4-17-16(14-7-8-14,15(20)21-6-3)13-19-11-9-18(5-2)10-12-19/h14,17H,4-13H2,1-3H3
InChIKey	OTNSLYPRTBJFQD-UHFFFAOYSA-N
XLogP	0.95
TPSA	44.81 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	297.44
LogP ≤ 5	0.95
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of Ethyl 2-cyclopropyl-2-(ethylamino)-3-(4-ethylpiperazin-1-yl)propanoate?

The IUPAC name of Ethyl 2-cyclopropyl-2-(ethylamino)-3-(4-ethylpiperazin-1-yl)propanoate (CID 63905558) is ethyl 2-cyclopropyl-2-(ethylamino)-3-(4-ethylpiperazin-1-yl)propanoate.

What is the SMILES notation for Ethyl 2-cyclopropyl-2-(ethylamino)-3-(4-ethylpiperazin-1-yl)propanoate?

The canonical SMILES for Ethyl 2-cyclopropyl-2-(ethylamino)-3-(4-ethylpiperazin-1-yl)propanoate is CCNC(CN1CCN(CC)CC1)(C(=O)OCC)C1CC1.

What is the InChIKey of Ethyl 2-cyclopropyl-2-(ethylamino)-3-(4-ethylpiperazin-1-yl)propanoate?

The InChIKey is OTNSLYPRTBJFQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2/c1-4-17-16(14-7-8-14,15(20)21-6-3)13-19-11-9-18(5-2)10-12-19/h14,17H,4-13H2,1-3H3.

What are the key properties of Ethyl 2-cyclopropyl-2-(ethylamino)-3-(4-ethylpiperazin-1-yl)propanoate?

Ethyl 2-cyclopropyl-2-(ethylamino)-3-(4-ethylpiperazin-1-yl)propanoate has a molecular weight of 297.44 g/mol, XLogP of 0.95, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for Ethyl 2-cyclopropyl-2-(ethylamino)-3-(4-ethylpiperazin-1-yl)propanoate is sourced from PubChem (CID 63905558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 63905558 — identifiers, structure, computed properties (public domain)

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