2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-2-oxo-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]acetamide

C19H30N6O2 — CID 154746493

IUPAC2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-2-oxo-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]acetamide
SMILESCN1CCN(C(=O)C(=O)NCC2CCN(c3ccncc3)CC2)C(CN)C1
InChIInChI=1S/C19H30N6O2/c1-23-10-11-25(17(12-20)14-23)19(27)18(26)22-13-15-4-8-24(9-5-15)16-2-6-21-7-3-16/h2-3,6-7,15,17H,4-5,8-14,20H2,1H3,(H,22,26)
InChIKeyKAFJJTBXBDQKLJ-UHFFFAOYSA-N
MW374.49 g/mol
LogP-0.48
Rot. Bonds4

About 2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-2-oxo-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]acetamide

2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-2-oxo-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]acetamide (PubChem CID 154746493) has the molecular formula C19H30N6O2 and a molecular weight of 374.49 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-2-oxo-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-2-oxo-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]acetamide
PubChem CID154746493
Molecular FormulaC19H30N6O2
Molecular Weight374.49 g/mol
Exact Mass374.24
IUPAC Name2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-2-oxo-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]acetamide
SMILESCN1CCN(C(=O)C(=O)NCC2CCN(c3ccncc3)CC2)C(CN)C1
InChIInChI=1S/C19H30N6O2/c1-23-10-11-25(17(12-20)14-23)19(27)18(26)22-13-15-4-8-24(9-5-15)16-2-6-21-7-3-16/h2-3,6-7,15,17H,4-5,8-14,20H2,1H3,(H,22,26)
InChIKeyKAFJJTBXBDQKLJ-UHFFFAOYSA-N
XLogP-0.48
TPSA94.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N'-[(1-pyridin-4-ylpiperidin-4-yl)methyl]oxamide
CID 86263499
N'-propan-2-yl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]oxamide
CID 121107650
tert-butyl N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]carbamate
CID 20801237
N'-cycloheptyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]oxamide
CID 121107666
1-(3,4-dimethylphenyl)-3-[(1-pyridin-4-ylpiperidin-4-yl)methyl]urea
CID 86263595
N'-(1,3-benzodioxol-5-yl)-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]oxamide
CID 86263494
N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]-N'-[4-(trifluoromethoxy)phenyl]oxamide
CID 121107711
2-(4-chlorophenoxy)-2-methyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]propanamide
CID 86263583
2-cyclohexyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]acetamide
CID 121108728
4-fluoro-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzamide
CID 121108725
2-methyl-4-(1-pyridin-4-ylpiperidin-4-yl)butanamide
CID 140553160
1-methyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]indole-3-carboxamide
CID 136520105

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-2-oxo-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]acetamide?
The IUPAC name of 2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-2-oxo-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]acetamide (CID 154746493) is 2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-2-oxo-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]acetamide.
What is the SMILES notation for 2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-2-oxo-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]acetamide?
The canonical SMILES for 2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-2-oxo-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]acetamide is CN1CCN(C(=O)C(=O)NCC2CCN(c3ccncc3)CC2)C(CN)C1.
What is the InChIKey of 2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-2-oxo-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]acetamide?
The InChIKey is KAFJJTBXBDQKLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N6O2/c1-23-10-11-25(17(12-20)14-23)19(27)18(26)22-13-15-4-8-24(9-5-15)16-2-6-21-7-3-16/h2-3,6-7,15,17H,4-5,8-14,20H2,1H3,(H,22,26).
What are the key properties of 2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-2-oxo-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]acetamide?
2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-2-oxo-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]acetamide has a molecular weight of 374.49 g/mol, XLogP of -0.48, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-2-oxo-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]acetamide is sourced from PubChem (CID 154746493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).