2-[4-[2-(aminomethyl)pyridine-4-carbonyl]piperazin-1-yl]-N-methylacetamide

C14H21N5O2 — CID 114325955

IUPAC2-[4-[2-(aminomethyl)pyridine-4-carbonyl]piperazin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCN(C(=O)c2ccnc(CN)c2)CC1
InChIInChI=1S/C14H21N5O2/c1-16-13(20)10-18-4-6-19(7-5-18)14(21)11-2-3-17-12(8-11)9-15/h2-3,8H,4-7,9-10,15H2,1H3,(H,16,20)
InChIKeySUEXOYKEPDGMAC-UHFFFAOYSA-N
MW291.36 g/mol
LogP-0.96
Rot. Bonds4

About 2-[4-[2-(aminomethyl)pyridine-4-carbonyl]piperazin-1-yl]-N-methylacetamide

2-[4-[2-(aminomethyl)pyridine-4-carbonyl]piperazin-1-yl]-N-methylacetamide (PubChem CID 114325955) has the molecular formula C14H21N5O2 and a molecular weight of 291.36 g/mol. Its IUPAC name is 2-[4-[2-(aminomethyl)pyridine-4-carbonyl]piperazin-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-[2-(aminomethyl)pyridine-4-carbonyl]piperazin-1-yl]-N-methylacetamide
PubChem CID114325955
Molecular FormulaC14H21N5O2
Molecular Weight291.36 g/mol
Exact Mass291.17
IUPAC Name2-[4-[2-(aminomethyl)pyridine-4-carbonyl]piperazin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCN(C(=O)c2ccnc(CN)c2)CC1
InChIInChI=1S/C14H21N5O2/c1-16-13(20)10-18-4-6-19(7-5-18)14(21)11-2-3-17-12(8-11)9-15/h2-3,8H,4-7,9-10,15H2,1H3,(H,16,20)
InChIKeySUEXOYKEPDGMAC-UHFFFAOYSA-N
XLogP-0.96
TPSA91.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 5-0.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[4-[2-(aminomethyl)pyridine-4-carbonyl]piperazin-1-yl]-N-methylacetamide with MolForge

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

Launch Full Analysis

Related Compounds

2-[4-[4-(aminomethyl)benzoyl]piperazin-1-yl]-N-methylacetamide
CID 60937478
[2-(aminomethyl)-4-pyridinyl]-(azepan-1-yl)methanone
CID 112530475
[2-(aminomethyl)-4-pyridinyl]-(azocan-1-yl)methanone
CID 114325572
2-[4-(3-bromobenzoyl)piperazin-1-yl]-N-methylacetamide
CID 47110866
2-[4-(3,5-dibromobenzoyl)piperazin-1-yl]-N-methylacetamide
CID 103908954
N-methyl-2-[4-[6-(trifluoromethyl)pyridine-3-carbonyl]piperazin-1-yl]acetamide
CID 134025795
[2-(aminomethyl)-4-pyridinyl]-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone
CID 82696757
2-[4-(2-amino-5-hydroxybenzoyl)piperazin-1-yl]-N-methylacetamide
CID 107074633
[2-(aminomethyl)-4-pyridinyl]-[3-(hydroxymethyl)azetidin-1-yl]methanone
CID 107220475
2-(aminomethyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-4-carboxamide
CID 114325905
[2-(aminomethyl)-4-pyridinyl]-(3-propan-2-ylpyrrolidin-1-yl)methanone
CID 113417381
2-[4-(5-amino-2-fluorobenzoyl)piperazin-1-yl]-N-methylacetamide
CID 61114166

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(aminomethyl)pyridine-4-carbonyl]piperazin-1-yl]-N-methylacetamide?
The IUPAC name of 2-[4-[2-(aminomethyl)pyridine-4-carbonyl]piperazin-1-yl]-N-methylacetamide (CID 114325955) is 2-[4-[2-(aminomethyl)pyridine-4-carbonyl]piperazin-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[4-[2-(aminomethyl)pyridine-4-carbonyl]piperazin-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[4-[2-(aminomethyl)pyridine-4-carbonyl]piperazin-1-yl]-N-methylacetamide is CNC(=O)CN1CCN(C(=O)c2ccnc(CN)c2)CC1.
What is the InChIKey of 2-[4-[2-(aminomethyl)pyridine-4-carbonyl]piperazin-1-yl]-N-methylacetamide?
The InChIKey is SUEXOYKEPDGMAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2/c1-16-13(20)10-18-4-6-19(7-5-18)14(21)11-2-3-17-12(8-11)9-15/h2-3,8H,4-7,9-10,15H2,1H3,(H,16,20).
What are the key properties of 2-[4-[2-(aminomethyl)pyridine-4-carbonyl]piperazin-1-yl]-N-methylacetamide?
2-[4-[2-(aminomethyl)pyridine-4-carbonyl]piperazin-1-yl]-N-methylacetamide has a molecular weight of 291.36 g/mol, XLogP of -0.96, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(aminomethyl)pyridine-4-carbonyl]piperazin-1-yl]-N-methylacetamide is sourced from PubChem (CID 114325955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).