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

C20H38N4O2 — CID 58135840

IUPAC2-piperidin-1-ylethyl 3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propanoate
SMILESCN1CCN(C2CCN(CCC(=O)OCCN3CCCCC3)CC2)CC1
InChIInChI=1S/C20H38N4O2/c1-21-13-15-24(16-14-21)19-5-10-23(11-6-19)12-7-20(25)26-18-17-22-8-3-2-4-9-22/h19H,2-18H2,1H3
InChIKeyNWWISWHUUKKTOG-UHFFFAOYSA-N
MW366.55 g/mol
LogP1.12
Rot. Bonds7

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

2-piperidin-1-ylethyl 3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propanoate (PubChem CID 58135840) has the molecular formula C20H38N4O2 and a molecular weight of 366.55 g/mol. Its IUPAC name is 2-piperidin-1-ylethyl 3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propanoate.

Molecular Properties

Compound Name2-piperidin-1-ylethyl 3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propanoate
PubChem CID58135840
Molecular FormulaC20H38N4O2
Molecular Weight366.55 g/mol
Exact Mass366.30
IUPAC Name2-piperidin-1-ylethyl 3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propanoate
SMILESCN1CCN(C2CCN(CCC(=O)OCCN3CCCCC3)CC2)CC1
InChIInChI=1S/C20H38N4O2/c1-21-13-15-24(16-14-21)19-5-10-23(11-6-19)12-7-20(25)26-18-17-22-8-3-2-4-9-22/h19H,2-18H2,1H3
InChIKeyNWWISWHUUKKTOG-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

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-ylethyl 3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propanoate?
The IUPAC name of 2-piperidin-1-ylethyl 3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propanoate (CID 58135840) is 2-piperidin-1-ylethyl 3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propanoate.
What is the SMILES notation for 2-piperidin-1-ylethyl 3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propanoate?
The canonical SMILES for 2-piperidin-1-ylethyl 3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propanoate is CN1CCN(C2CCN(CCC(=O)OCCN3CCCCC3)CC2)CC1.
What is the InChIKey of 2-piperidin-1-ylethyl 3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propanoate?
The InChIKey is NWWISWHUUKKTOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38N4O2/c1-21-13-15-24(16-14-21)19-5-10-23(11-6-19)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-(4-methylpiperazin-1-yl)piperidin-1-yl]propanoate?
2-piperidin-1-ylethyl 3-[4-(4-methylpiperazin-1-yl)piperidin-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-(4-methylpiperazin-1-yl)piperidin-1-yl]propanoate is sourced from PubChem (CID 58135840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).