2-(dimethylamino)ethyl 2-[3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]acetate

C15H30N4O2 — CID 58136141

IUPAC2-(dimethylamino)ethyl 2-[3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]acetate
SMILESCN(C)CCOC(=O)CN1CCC(N2CCN(C)CC2)C1
InChIInChI=1S/C15H30N4O2/c1-16(2)10-11-21-15(20)13-18-5-4-14(12-18)19-8-6-17(3)7-9-19/h14H,4-13H2,1-3H3
InChIKeyNXVUSTQBQSQWHD-UHFFFAOYSA-N
MW298.43 g/mol
LogP-0.59
Rot. Bonds6

About 2-(dimethylamino)ethyl 2-[3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]acetate

2-(dimethylamino)ethyl 2-[3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]acetate (PubChem CID 58136141) has the molecular formula C15H30N4O2 and a molecular weight of 298.43 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl 2-[3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]acetate.

Molecular Properties

Compound Name2-(dimethylamino)ethyl 2-[3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]acetate
PubChem CID58136141
Molecular FormulaC15H30N4O2
Molecular Weight298.43 g/mol
Exact Mass298.24
IUPAC Name2-(dimethylamino)ethyl 2-[3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]acetate
SMILESCN(C)CCOC(=O)CN1CCC(N2CCN(C)CC2)C1
InChIInChI=1S/C15H30N4O2/c1-16(2)10-11-21-15(20)13-18-5-4-14(12-18)19-8-6-17(3)7-9-19/h14H,4-13H2,1-3H3
InChIKeyNXVUSTQBQSQWHD-UHFFFAOYSA-N
XLogP-0.59
TPSA39.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 5-0.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(dimethylamino)propyl 2-[3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]acetate
CID 58135977
3-piperidin-1-ylpropyl 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetate
CID 58136099
butyl 2-(3-piperidin-1-ylpyrrolidin-1-yl)acetate
CID 55159559
2-(dimethylamino)ethyl 1-(1-methylpiperidin-4-yl)pyrrolidine-3-carboxylate
CID 58135927
2-(dimethylamino)ethyl 1-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-4-carboxylate
CID 118535040
2-(2-oxopiperidin-1-yl)ethyl 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetate
CID 58135973
2-(ditert-butylamino)ethyl 2-(4-methylpiperazin-1-yl)acetate
CID 176648451
2-(dimethylamino)ethyl 3-pyrrolidin-1-ylpropanoate
CID 131853117
2-morpholin-4-ylethyl 2-[3-(4-methylpiperazin-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]acetate
CID 58135857
butyl 2-[3-(4-methylpiperazin-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]acetate
CID 58136062
2-[(3R)-3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]-N-methyl-N-propan-2-ylacetamide
CID 97028839
2-[(3S)-3-aminopyrrolidin-1-yl]-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]ethanone
CID 68646735

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethyl 2-[3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]acetate?
The IUPAC name of 2-(dimethylamino)ethyl 2-[3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]acetate (CID 58136141) is 2-(dimethylamino)ethyl 2-[3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]acetate.
What is the SMILES notation for 2-(dimethylamino)ethyl 2-[3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]acetate?
The canonical SMILES for 2-(dimethylamino)ethyl 2-[3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]acetate is CN(C)CCOC(=O)CN1CCC(N2CCN(C)CC2)C1.
What is the InChIKey of 2-(dimethylamino)ethyl 2-[3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]acetate?
The InChIKey is NXVUSTQBQSQWHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4O2/c1-16(2)10-11-21-15(20)13-18-5-4-14(12-18)19-8-6-17(3)7-9-19/h14H,4-13H2,1-3H3.
What are the key properties of 2-(dimethylamino)ethyl 2-[3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]acetate?
2-(dimethylamino)ethyl 2-[3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]acetate has a molecular weight of 298.43 g/mol, XLogP of -0.59, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethyl 2-[3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]acetate is sourced from PubChem (CID 58136141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).