N-(2-cyanopropyl)-N-ethyl-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]acetamide

C17H30N4O2 — CID 56806496

IUPACN-(2-cyanopropyl)-N-ethyl-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]acetamide
SMILESCCN(CC(C)C#N)C(=O)CN1CCN(CC2CCCO2)CC1
InChIInChI=1S/C17H30N4O2/c1-3-21(12-15(2)11-18)17(22)14-20-8-6-19(7-9-20)13-16-5-4-10-23-16/h15-16H,3-10,12-14H2,1-2H3
InChIKeySPLKABNZJMKLOA-UHFFFAOYSA-N
MW322.45 g/mol
LogP0.79
Rot. Bonds7

About N-(2-cyanopropyl)-N-ethyl-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]acetamide

N-(2-cyanopropyl)-N-ethyl-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]acetamide (PubChem CID 56806496) has the molecular formula C17H30N4O2 and a molecular weight of 322.45 g/mol. Its IUPAC name is N-(2-cyanopropyl)-N-ethyl-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-cyanopropyl)-N-ethyl-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]acetamide
PubChem CID56806496
Molecular FormulaC17H30N4O2
Molecular Weight322.45 g/mol
Exact Mass322.24
IUPAC NameN-(2-cyanopropyl)-N-ethyl-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]acetamide
SMILESCCN(CC(C)C#N)C(=O)CN1CCN(CC2CCCO2)CC1
InChIInChI=1S/C17H30N4O2/c1-3-21(12-15(2)11-18)17(22)14-20-8-6-19(7-9-20)13-16-5-4-10-23-16/h15-16H,3-10,12-14H2,1-2H3
InChIKeySPLKABNZJMKLOA-UHFFFAOYSA-N
XLogP0.79
TPSA59.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanopropyl)-N-ethyl-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(2-cyanopropyl)-N-ethyl-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]acetamide (CID 56806496) is N-(2-cyanopropyl)-N-ethyl-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2-cyanopropyl)-N-ethyl-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(2-cyanopropyl)-N-ethyl-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]acetamide is CCN(CC(C)C#N)C(=O)CN1CCN(CC2CCCO2)CC1.
What is the InChIKey of N-(2-cyanopropyl)-N-ethyl-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]acetamide?
The InChIKey is SPLKABNZJMKLOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O2/c1-3-21(12-15(2)11-18)17(22)14-20-8-6-19(7-9-20)13-16-5-4-10-23-16/h15-16H,3-10,12-14H2,1-2H3.
What are the key properties of N-(2-cyanopropyl)-N-ethyl-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]acetamide?
N-(2-cyanopropyl)-N-ethyl-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]acetamide has a molecular weight of 322.45 g/mol, XLogP of 0.79, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanopropyl)-N-ethyl-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 56806496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).