2-piperidin-1-ylethyl 3-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]propanoate

C20H38N4O2 — CID 58135935

IUPAC2-piperidin-1-ylethyl 3-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]propanoate
SMILESCN1CCC(N2CCN(CCC(=O)OCCN3CCCCC3)CC2)CC1
InChIInChI=1S/C20H38N4O2/c1-21-10-5-19(6-11-21)24-15-13-23(14-16-24)12-7-20(25)26-18-17-22-8-3-2-4-9-22/h19H,2-18H2,1H3
InChIKeyPSUWZIZDWUXAFD-UHFFFAOYSA-N
MW366.55 g/mol
LogP1.12
Rot. Bonds7

About 2-piperidin-1-ylethyl 3-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]propanoate

2-piperidin-1-ylethyl 3-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]propanoate (PubChem CID 58135935) has the molecular formula C20H38N4O2 and a molecular weight of 366.55 g/mol. Its IUPAC name is 2-piperidin-1-ylethyl 3-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]propanoate.

Molecular Properties

Compound Name2-piperidin-1-ylethyl 3-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]propanoate
PubChem CID58135935
Molecular FormulaC20H38N4O2
Molecular Weight366.55 g/mol
Exact Mass366.30
IUPAC Name2-piperidin-1-ylethyl 3-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]propanoate
SMILESCN1CCC(N2CCN(CCC(=O)OCCN3CCCCC3)CC2)CC1
InChIInChI=1S/C20H38N4O2/c1-21-10-5-19(6-11-21)24-15-13-23(14-16-24)12-7-20(25)26-18-17-22-8-3-2-4-9-22/h19H,2-18H2,1H3
InChIKeyPSUWZIZDWUXAFD-UHFFFAOYSA-N
XLogP1.12
TPSA39.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.55
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-piperidin-1-ylethyl 3-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]propanoate with MolForge

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Related Compounds

3-morpholin-4-ylpropyl 3-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]propanoate
CID 58136159
3-piperidin-1-ylpropyl 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetate
CID 58136099
bis(2-piperidin-1-ylethyl) butanedioate
CID 71369193
methyl 3-(4-cyclopentylpiperazin-1-yl)propanoate
CID 60745212
2-[2-[3-(4-methylpiperazin-1-yl)propanoyloxy]ethoxy]ethyl 3-(4-methylpiperazin-1-yl)propanoate
CID 59193459
1-O-methyl 4-O-[2-(4-methylpiperazin-1-yl)ethyl] butanedioate
CID 166761469
2-piperidin-1-ylethyl hexanoate
CID 59204070
2-piperidin-1-ylethyl heptadecanoate
CID 118631056
dodecyl 3-piperidin-1-ylpropanoate
CID 91554899
3-(4-ethylpiperazin-1-yl)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]propan-1-one
CID 167027277
2-(dimethylamino)ethyl 3-pyrrolidin-1-ylpropanoate
CID 131853117
2-(2-oxopiperidin-1-yl)ethyl 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetate
CID 58135973

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-ylethyl 3-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]propanoate?
The IUPAC name of 2-piperidin-1-ylethyl 3-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]propanoate (CID 58135935) is 2-piperidin-1-ylethyl 3-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]propanoate.
What is the SMILES notation for 2-piperidin-1-ylethyl 3-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]propanoate?
The canonical SMILES for 2-piperidin-1-ylethyl 3-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]propanoate is CN1CCC(N2CCN(CCC(=O)OCCN3CCCCC3)CC2)CC1.
What is the InChIKey of 2-piperidin-1-ylethyl 3-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]propanoate?
The InChIKey is PSUWZIZDWUXAFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38N4O2/c1-21-10-5-19(6-11-21)24-15-13-23(14-16-24)12-7-20(25)26-18-17-22-8-3-2-4-9-22/h19H,2-18H2,1H3.
What are the key properties of 2-piperidin-1-ylethyl 3-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]propanoate?
2-piperidin-1-ylethyl 3-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]propanoate has a molecular weight of 366.55 g/mol, XLogP of 1.12, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-ylethyl 3-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]propanoate is sourced from PubChem (CID 58135935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).