2-(aminomethyl)-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pentan-1-one

C16H26N4O — CID 65230073

IUPAC2-(aminomethyl)-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pentan-1-one
SMILESCCCC(CN)C(=O)N1CCN(Cc2ccccn2)CC1
InChIInChI=1S/C16H26N4O/c1-2-5-14(12-17)16(21)20-10-8-19(9-11-20)13-15-6-3-4-7-18-15/h3-4,6-7,14H,2,5,8-13,17H2,1H3
InChIKeyAVKIUWYZKALJIL-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.10
Rot. Bonds6

About 2-(aminomethyl)-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pentan-1-one

2-(aminomethyl)-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pentan-1-one (PubChem CID 65230073) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-(aminomethyl)-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pentan-1-one.

Molecular Properties

Compound Name2-(aminomethyl)-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pentan-1-one
PubChem CID65230073
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name2-(aminomethyl)-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pentan-1-one
SMILESCCCC(CN)C(=O)N1CCN(Cc2ccccn2)CC1
InChIInChI=1S/C16H26N4O/c1-2-5-14(12-17)16(21)20-10-8-19(9-11-20)13-15-6-3-4-7-18-15/h3-4,6-7,14H,2,5,8-13,17H2,1H3
InChIKeyAVKIUWYZKALJIL-UHFFFAOYSA-N
XLogP1.10
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(aminomethyl)-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pentan-1-one 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

5-amino-4-methyl-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pentan-1-one
CID 82013925
2-amino-4-methoxy-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]butan-1-one
CID 62473760
2-chloro-2-fluoro-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone
CID 166427945
2-(methylamino)-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone
CID 54869774
(2R)-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one
CID 94044311
2-amino-2-(oxan-4-yl)-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone
CID 120801574
3-oxo-3-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propanoic acid
CID 62230248
2-hydroxyethyl 4-(pyridin-2-ylmethyl)piperazine-1-carboxylate
CID 79345467
2-(aminomethyl)-1-(4-phenylpiperidin-1-yl)pentan-1-one
CID 65229548
3,3-diphenyl-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propan-1-one
CID 14960357
2-[(1,1-dioxo-1,2-benzothiazol-3-ylidene)amino]-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]hexan-1-one
CID 135957806
2-(2-aminoethoxy)-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone
CID 79473756

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pentan-1-one?
The IUPAC name of 2-(aminomethyl)-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pentan-1-one (CID 65230073) is 2-(aminomethyl)-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pentan-1-one.
What is the SMILES notation for 2-(aminomethyl)-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pentan-1-one?
The canonical SMILES for 2-(aminomethyl)-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pentan-1-one is CCCC(CN)C(=O)N1CCN(Cc2ccccn2)CC1.
What is the InChIKey of 2-(aminomethyl)-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pentan-1-one?
The InChIKey is AVKIUWYZKALJIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-2-5-14(12-17)16(21)20-10-8-19(9-11-20)13-15-6-3-4-7-18-15/h3-4,6-7,14H,2,5,8-13,17H2,1H3.
What are the key properties of 2-(aminomethyl)-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pentan-1-one?
2-(aminomethyl)-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pentan-1-one has a molecular weight of 290.41 g/mol, XLogP of 1.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pentan-1-one is sourced from PubChem (CID 65230073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).