ethyl 4-[acetyl-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]amino]piperidine-1-carboxylate

C18H32N4O4 — CID 113122135

IUPACethyl 4-[acetyl-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(N(CCC(=O)N2CCN(C)CC2)C(C)=O)CC1
InChIInChI=1S/C18H32N4O4/c1-4-26-18(25)21-8-5-16(6-9-21)22(15(2)23)10-7-17(24)20-13-11-19(3)12-14-20/h16H,4-14H2,1-3H3
InChIKeyDYYGICIWJNYLDT-UHFFFAOYSA-N
MW368.48 g/mol
LogP0.62
Rot. Bonds5

About ethyl 4-[acetyl-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]amino]piperidine-1-carboxylate

ethyl 4-[acetyl-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]amino]piperidine-1-carboxylate (PubChem CID 113122135) has the molecular formula C18H32N4O4 and a molecular weight of 368.48 g/mol. Its IUPAC name is ethyl 4-[acetyl-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[acetyl-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]amino]piperidine-1-carboxylate
PubChem CID113122135
Molecular FormulaC18H32N4O4
Molecular Weight368.48 g/mol
Exact Mass368.24
IUPAC Nameethyl 4-[acetyl-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(N(CCC(=O)N2CCN(C)CC2)C(C)=O)CC1
InChIInChI=1S/C18H32N4O4/c1-4-26-18(25)21-8-5-16(6-9-21)22(15(2)23)10-7-17(24)20-13-11-19(3)12-14-20/h16H,4-14H2,1-3H3
InChIKeyDYYGICIWJNYLDT-UHFFFAOYSA-N
XLogP0.62
TPSA73.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 4-[acetyl-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]amino]piperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[4-(2-Ethoxyethyl)-3-methylpiperazin-1-yl]-1-piperidin-1-ylpropan-1-one
CID 53607179
Cambridge id 5453405
CID 783862
Cambridge id 5465194
CID 784581
Ethyl 4-(4-ethyl-1-piperazinyl)-1-piperidinecarboxylate
CID 783962
Ethyl 4-(4-acetyl-1-piperazinyl)-1-piperidinecarboxylate
CID 784120
Ethyl 4-(1-propyl-4-piperidinyl)-1-piperazinecarboxylate
CID 23849824
Ethyl 4-{1-[3-(2-isoxazolidinyl)propanoyl]-3-piperidinyl}-1-piperazinecarboxylate
CID 45190419
Ethyl 4-{1-[3-(1,2-oxazinan-2-yl)propanoyl]-3-piperidinyl}-1-piperazinecarboxylate
CID 45206660
Tert-butyl 4-[1-(3-ethoxy-3-oxopropyl)piperidin-4-yl]piperazine-1-carboxylate
CID 54044939
Ethyl 4-oxo[1,4'-bipiperidine]-1'-carboxylate
CID 54156087
3-(Dimethylamino)propyl 3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propanoate
CID 58135804
3-(Dimethylamino)propyl 3-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]propanoate
CID 58136011

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[acetyl-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[acetyl-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]amino]piperidine-1-carboxylate (CID 113122135) is ethyl 4-[acetyl-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[acetyl-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[acetyl-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(N(CCC(=O)N2CCN(C)CC2)C(C)=O)CC1.
What is the InChIKey of ethyl 4-[acetyl-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]amino]piperidine-1-carboxylate?
The InChIKey is DYYGICIWJNYLDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4O4/c1-4-26-18(25)21-8-5-16(6-9-21)22(15(2)23)10-7-17(24)20-13-11-19(3)12-14-20/h16H,4-14H2,1-3H3.
What are the key properties of ethyl 4-[acetyl-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]amino]piperidine-1-carboxylate?
ethyl 4-[acetyl-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]amino]piperidine-1-carboxylate has a molecular weight of 368.48 g/mol, XLogP of 0.62, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[acetyl-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 113122135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).