N-[2-[4-(3,4-dihydropyridin-3-ylmethyl)piperazin-1-yl]ethyl]acetamide

C14H24N4O — CID 70285607

IUPACN-[2-[4-(3,4-dihydropyridin-3-ylmethyl)piperazin-1-yl]ethyl]acetamide
SMILESCC(=O)NCCN1CCN(CC2C=NC=CC2)CC1
InChIInChI=1S/C14H24N4O/c1-13(19)16-5-6-17-7-9-18(10-8-17)12-14-3-2-4-15-11-14/h2,4,11,14H,3,5-10,12H2,1H3,(H,16,19)
InChIKeyIRRJMXFLDVULIL-UHFFFAOYSA-N
MW264.37 g/mol
LogP0.34
Rot. Bonds5

About N-[2-[4-(3,4-dihydropyridin-3-ylmethyl)piperazin-1-yl]ethyl]acetamide

N-[2-[4-(3,4-dihydropyridin-3-ylmethyl)piperazin-1-yl]ethyl]acetamide (PubChem CID 70285607) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is N-[2-[4-(3,4-dihydropyridin-3-ylmethyl)piperazin-1-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[4-(3,4-dihydropyridin-3-ylmethyl)piperazin-1-yl]ethyl]acetamide
PubChem CID70285607
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC NameN-[2-[4-(3,4-dihydropyridin-3-ylmethyl)piperazin-1-yl]ethyl]acetamide
SMILESCC(=O)NCCN1CCN(CC2C=NC=CC2)CC1
InChIInChI=1S/C14H24N4O/c1-13(19)16-5-6-17-7-9-18(10-8-17)12-14-3-2-4-15-11-14/h2,4,11,14H,3,5-10,12H2,1H3,(H,16,19)
InChIKeyIRRJMXFLDVULIL-UHFFFAOYSA-N
XLogP0.34
TPSA47.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-[4-(3,4-dihydropyridin-3-ylmethyl)piperazin-1-yl]ethyl]acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(3,4-dihydropyridin-3-ylmethyl)piperazin-1-yl]ethyl]acetamide?
The IUPAC name of N-[2-[4-(3,4-dihydropyridin-3-ylmethyl)piperazin-1-yl]ethyl]acetamide (CID 70285607) is N-[2-[4-(3,4-dihydropyridin-3-ylmethyl)piperazin-1-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[4-(3,4-dihydropyridin-3-ylmethyl)piperazin-1-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[4-(3,4-dihydropyridin-3-ylmethyl)piperazin-1-yl]ethyl]acetamide is CC(=O)NCCN1CCN(CC2C=NC=CC2)CC1.
What is the InChIKey of N-[2-[4-(3,4-dihydropyridin-3-ylmethyl)piperazin-1-yl]ethyl]acetamide?
The InChIKey is IRRJMXFLDVULIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-13(19)16-5-6-17-7-9-18(10-8-17)12-14-3-2-4-15-11-14/h2,4,11,14H,3,5-10,12H2,1H3,(H,16,19).
What are the key properties of N-[2-[4-(3,4-dihydropyridin-3-ylmethyl)piperazin-1-yl]ethyl]acetamide?
N-[2-[4-(3,4-dihydropyridin-3-ylmethyl)piperazin-1-yl]ethyl]acetamide has a molecular weight of 264.37 g/mol, XLogP of 0.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(3,4-dihydropyridin-3-ylmethyl)piperazin-1-yl]ethyl]acetamide is sourced from PubChem (CID 70285607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).