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

C15H25N5O2 — CID 70285613

IUPAC2-[4-(2-acetamidoethyl)piperazin-1-yl]-N-(3,4-dihydropyridin-3-yl)acetamide
SMILESCC(=O)NCCN1CCN(CC(=O)NC2C=NC=CC2)CC1
InChIInChI=1S/C15H25N5O2/c1-13(21)17-5-6-19-7-9-20(10-8-19)12-15(22)18-14-3-2-4-16-11-14/h2,4,11,14H,3,5-10,12H2,1H3,(H,17,21)(H,18,22)
InChIKeyWIWLKTITBPVQFH-UHFFFAOYSA-N
MW307.40 g/mol
LogP-0.79
Rot. Bonds6

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

2-[4-(2-acetamidoethyl)piperazin-1-yl]-N-(3,4-dihydropyridin-3-yl)acetamide (PubChem CID 70285613) has the molecular formula C15H25N5O2 and a molecular weight of 307.40 g/mol. Its IUPAC name is 2-[4-(2-acetamidoethyl)piperazin-1-yl]-N-(3,4-dihydropyridin-3-yl)acetamide.

Molecular Properties

Compound Name2-[4-(2-acetamidoethyl)piperazin-1-yl]-N-(3,4-dihydropyridin-3-yl)acetamide
PubChem CID70285613
Molecular FormulaC15H25N5O2
Molecular Weight307.40 g/mol
Exact Mass307.20
IUPAC Name2-[4-(2-acetamidoethyl)piperazin-1-yl]-N-(3,4-dihydropyridin-3-yl)acetamide
SMILESCC(=O)NCCN1CCN(CC(=O)NC2C=NC=CC2)CC1
InChIInChI=1S/C15H25N5O2/c1-13(21)17-5-6-19-7-9-20(10-8-19)12-15(22)18-14-3-2-4-16-11-14/h2,4,11,14H,3,5-10,12H2,1H3,(H,17,21)(H,18,22)
InChIKeyWIWLKTITBPVQFH-UHFFFAOYSA-N
XLogP-0.79
TPSA77.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 5-0.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[4-(3,4-dihydropyridin-3-ylmethyl)piperazin-1-yl]ethyl]acetamide
CID 70285607
N-[2-[(2S)-4-(3,4-dihydropyridin-3-ylmethyl)-2,5-dimethylpiperazin-1-yl]ethyl]acetamide
CID 70287287
N-[2-[4-(3,4-dihydropyridin-4-ylmethyl)piperazin-1-yl]ethyl]acetamide
CID 70287461
4-(2-acetamidoethyl)-N-(3,4-dihydropyridin-3-yl)piperazine-1-carboxamide
CID 70287749
N-[2-[4-(3,4-dihydropyridine-4-carbonyl)piperazin-1-yl]ethyl]acetamide
CID 70287839
1-[4-(3,4-Dihydropyridin-3-yl)piperazin-1-yl]ethanone
CID 70289087
N-[2-[4-(3,4-dihydropyridine-3-carbonyl)piperazin-1-yl]ethyl]acetamide
CID 70289168
2,4,4a,8a-tetrahydro-1H-pyrido[3,4-b]pyrazin-3-one
CID 118607940
1-(6-Amino-3,4-dihydropyridin-3-yl)piperazin-2-one
CID 124116924
1,5-Dimethylpiperazin-2-one;1,5-dimethylpyrazin-2-one
CID 159910237
1-[2-(2-Methyl-3-oxopiperazin-1-yl)-2-oxoethyl]pyrimidin-2-one
CID 55219685
1-[2-(2-Ethyl-3-oxopiperazin-1-yl)-2-oxoethyl]pyrimidin-2-one
CID 63600813

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-acetamidoethyl)piperazin-1-yl]-N-(3,4-dihydropyridin-3-yl)acetamide?
The IUPAC name of 2-[4-(2-acetamidoethyl)piperazin-1-yl]-N-(3,4-dihydropyridin-3-yl)acetamide (CID 70285613) is 2-[4-(2-acetamidoethyl)piperazin-1-yl]-N-(3,4-dihydropyridin-3-yl)acetamide.
What is the SMILES notation for 2-[4-(2-acetamidoethyl)piperazin-1-yl]-N-(3,4-dihydropyridin-3-yl)acetamide?
The canonical SMILES for 2-[4-(2-acetamidoethyl)piperazin-1-yl]-N-(3,4-dihydropyridin-3-yl)acetamide is CC(=O)NCCN1CCN(CC(=O)NC2C=NC=CC2)CC1.
What is the InChIKey of 2-[4-(2-acetamidoethyl)piperazin-1-yl]-N-(3,4-dihydropyridin-3-yl)acetamide?
The InChIKey is WIWLKTITBPVQFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O2/c1-13(21)17-5-6-19-7-9-20(10-8-19)12-15(22)18-14-3-2-4-16-11-14/h2,4,11,14H,3,5-10,12H2,1H3,(H,17,21)(H,18,22).
What are the key properties of 2-[4-(2-acetamidoethyl)piperazin-1-yl]-N-(3,4-dihydropyridin-3-yl)acetamide?
2-[4-(2-acetamidoethyl)piperazin-1-yl]-N-(3,4-dihydropyridin-3-yl)acetamide has a molecular weight of 307.40 g/mol, XLogP of -0.79, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-acetamidoethyl)piperazin-1-yl]-N-(3,4-dihydropyridin-3-yl)acetamide is sourced from PubChem (CID 70285613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).