4-[(2-amino-3-pyridinyl)methyl]piperazin-2-one

C10H14N4O — CID 62472006

IUPAC4-[(2-amino-3-pyridinyl)methyl]piperazin-2-one
SMILESNc1ncccc1CN1CCNC(=O)C1
InChIInChI=1S/C10H14N4O/c11-10-8(2-1-3-13-10)6-14-5-4-12-9(15)7-14/h1-3H,4-7H2,(H2,11,13)(H,12,15)
InChIKeySAFCTTPDDAABDU-UHFFFAOYSA-N
MW206.25 g/mol
LogP-0.40
Rot. Bonds2

About 4-[(2-amino-3-pyridinyl)methyl]piperazin-2-one

4-[(2-amino-3-pyridinyl)methyl]piperazin-2-one (PubChem CID 62472006) has the molecular formula C10H14N4O and a molecular weight of 206.25 g/mol. Its IUPAC name is 4-[(2-amino-3-pyridinyl)methyl]piperazin-2-one.

Molecular Properties

Compound Name4-[(2-amino-3-pyridinyl)methyl]piperazin-2-one
PubChem CID62472006
Molecular FormulaC10H14N4O
Molecular Weight206.25 g/mol
Exact Mass206.12
IUPAC Name4-[(2-amino-3-pyridinyl)methyl]piperazin-2-one
SMILESNc1ncccc1CN1CCNC(=O)C1
InChIInChI=1S/C10H14N4O/c11-10-8(2-1-3-13-10)6-14-5-4-12-9(15)7-14/h1-3H,4-7H2,(H2,11,13)(H,12,15)
InChIKeySAFCTTPDDAABDU-UHFFFAOYSA-N
XLogP-0.40
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-chloro-3-pyridinyl)methyl]piperazin-2-one
CID 60617185
3-(pyrrolidin-1-ylmethyl)pyridin-2-amine
CID 62470567
2-amino-6-[(3-oxopiperazin-1-yl)methyl]benzoic acid
CID 104824232
3-(piperidin-1-ylmethyl)pyridin-2-amine
CID 18771814
3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]pyridin-2-amine
CID 62471359
4-(2-amino-3-pyridinyl)piperazin-2-one
CID 104539681
4-[(6-amino-2-pyridinyl)methyl]piperazin-2-one
CID 79243693
4-[[2-(aminomethyl)furan-3-yl]methyl]piperazin-2-one
CID 82507803
1-[(2-amino-3-pyridinyl)methyl]pyrimidin-2-one
CID 62464183
3-[(4-propan-2-ylpiperazin-1-yl)methyl]pyridin-2-amine
CID 62472253
4-[(2-hydrazinyl-3-nitrophenyl)methyl]piperazin-2-one
CID 107352999
4-[(2,6-dichlorophenyl)methyl]piperazin-2-one
CID 8962883

Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-3-pyridinyl)methyl]piperazin-2-one?
The IUPAC name of 4-[(2-amino-3-pyridinyl)methyl]piperazin-2-one (CID 62472006) is 4-[(2-amino-3-pyridinyl)methyl]piperazin-2-one.
What is the SMILES notation for 4-[(2-amino-3-pyridinyl)methyl]piperazin-2-one?
The canonical SMILES for 4-[(2-amino-3-pyridinyl)methyl]piperazin-2-one is Nc1ncccc1CN1CCNC(=O)C1.
What is the InChIKey of 4-[(2-amino-3-pyridinyl)methyl]piperazin-2-one?
The InChIKey is SAFCTTPDDAABDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O/c11-10-8(2-1-3-13-10)6-14-5-4-12-9(15)7-14/h1-3H,4-7H2,(H2,11,13)(H,12,15).
What are the key properties of 4-[(2-amino-3-pyridinyl)methyl]piperazin-2-one?
4-[(2-amino-3-pyridinyl)methyl]piperazin-2-one has a molecular weight of 206.25 g/mol, XLogP of -0.40, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-amino-3-pyridinyl)methyl]piperazin-2-one is sourced from PubChem (CID 62472006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).