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

C12H20N4O — CID 126711003

IUPAC2-[4-(1,2-dihydropyridin-4-ylmethyl)piperazin-1-yl]acetamide
SMILESNC(=O)CN1CCN(CC2=CCNC=C2)CC1
InChIInChI=1S/C12H20N4O/c13-12(17)10-16-7-5-15(6-8-16)9-11-1-3-14-4-2-11/h1-3,14H,4-10H2,(H2,13,17)
InChIKeyUFACMZNZQYGEGK-UHFFFAOYSA-N
MW236.32 g/mol
LogP-0.87
Rot. Bonds4

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

2-[4-(1,2-dihydropyridin-4-ylmethyl)piperazin-1-yl]acetamide (PubChem CID 126711003) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 2-[4-(1,2-dihydropyridin-4-ylmethyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-(1,2-dihydropyridin-4-ylmethyl)piperazin-1-yl]acetamide
PubChem CID126711003
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name2-[4-(1,2-dihydropyridin-4-ylmethyl)piperazin-1-yl]acetamide
SMILESNC(=O)CN1CCN(CC2=CCNC=C2)CC1
InChIInChI=1S/C12H20N4O/c13-12(17)10-16-7-5-15(6-8-16)9-11-1-3-14-4-2-11/h1-3,14H,4-10H2,(H2,13,17)
InChIKeyUFACMZNZQYGEGK-UHFFFAOYSA-N
XLogP-0.87
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 5-0.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,2-dihydropyridin-4-ylmethyl)piperazin-1-yl]acetamide?
The IUPAC name of 2-[4-(1,2-dihydropyridin-4-ylmethyl)piperazin-1-yl]acetamide (CID 126711003) is 2-[4-(1,2-dihydropyridin-4-ylmethyl)piperazin-1-yl]acetamide.
What is the SMILES notation for 2-[4-(1,2-dihydropyridin-4-ylmethyl)piperazin-1-yl]acetamide?
The canonical SMILES for 2-[4-(1,2-dihydropyridin-4-ylmethyl)piperazin-1-yl]acetamide is NC(=O)CN1CCN(CC2=CCNC=C2)CC1.
What is the InChIKey of 2-[4-(1,2-dihydropyridin-4-ylmethyl)piperazin-1-yl]acetamide?
The InChIKey is UFACMZNZQYGEGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c13-12(17)10-16-7-5-15(6-8-16)9-11-1-3-14-4-2-11/h1-3,14H,4-10H2,(H2,13,17).
What are the key properties of 2-[4-(1,2-dihydropyridin-4-ylmethyl)piperazin-1-yl]acetamide?
2-[4-(1,2-dihydropyridin-4-ylmethyl)piperazin-1-yl]acetamide has a molecular weight of 236.32 g/mol, XLogP of -0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,2-dihydropyridin-4-ylmethyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 126711003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).