2-(4-methylpiperidin-1-yl)-N-[(6-oxo-1H-pyridin-3-yl)methyl]-N-piperidin-4-ylacetamide

C19H30N4O2 — CID 66580325

IUPAC2-(4-methylpiperidin-1-yl)-N-[(6-oxo-1H-pyridin-3-yl)methyl]-N-piperidin-4-ylacetamide
SMILESCC1CCN(CC(=O)N(Cc2ccc(=O)[nH]c2)C2CCNCC2)CC1
InChIInChI=1S/C19H30N4O2/c1-15-6-10-22(11-7-15)14-19(25)23(17-4-8-20-9-5-17)13-16-2-3-18(24)21-12-16/h2-3,12,15,17,20H,4-11,13-14H2,1H3,(H,21,24)
InChIKeyIIHZKUKAWIWJHL-UHFFFAOYSA-N
MW346.47 g/mol
LogP1.19
Rot. Bonds5

About 2-(4-methylpiperidin-1-yl)-N-[(6-oxo-1H-pyridin-3-yl)methyl]-N-piperidin-4-ylacetamide

2-(4-methylpiperidin-1-yl)-N-[(6-oxo-1H-pyridin-3-yl)methyl]-N-piperidin-4-ylacetamide (PubChem CID 66580325) has the molecular formula C19H30N4O2 and a molecular weight of 346.47 g/mol. Its IUPAC name is 2-(4-methylpiperidin-1-yl)-N-[(6-oxo-1H-pyridin-3-yl)methyl]-N-piperidin-4-ylacetamide.

Molecular Properties

Compound Name2-(4-methylpiperidin-1-yl)-N-[(6-oxo-1H-pyridin-3-yl)methyl]-N-piperidin-4-ylacetamide
PubChem CID66580325
Molecular FormulaC19H30N4O2
Molecular Weight346.47 g/mol
Exact Mass346.24
IUPAC Name2-(4-methylpiperidin-1-yl)-N-[(6-oxo-1H-pyridin-3-yl)methyl]-N-piperidin-4-ylacetamide
SMILESCC1CCN(CC(=O)N(Cc2ccc(=O)[nH]c2)C2CCNCC2)CC1
InChIInChI=1S/C19H30N4O2/c1-15-6-10-22(11-7-15)14-19(25)23(17-4-8-20-9-5-17)13-16-2-3-18(24)21-12-16/h2-3,12,15,17,20H,4-11,13-14H2,1H3,(H,21,24)
InChIKeyIIHZKUKAWIWJHL-UHFFFAOYSA-N
XLogP1.19
TPSA68.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperidin-1-yl)-N-[(6-oxo-1H-pyridin-3-yl)methyl]-N-piperidin-4-ylacetamide?
The IUPAC name of 2-(4-methylpiperidin-1-yl)-N-[(6-oxo-1H-pyridin-3-yl)methyl]-N-piperidin-4-ylacetamide (CID 66580325) is 2-(4-methylpiperidin-1-yl)-N-[(6-oxo-1H-pyridin-3-yl)methyl]-N-piperidin-4-ylacetamide.
What is the SMILES notation for 2-(4-methylpiperidin-1-yl)-N-[(6-oxo-1H-pyridin-3-yl)methyl]-N-piperidin-4-ylacetamide?
The canonical SMILES for 2-(4-methylpiperidin-1-yl)-N-[(6-oxo-1H-pyridin-3-yl)methyl]-N-piperidin-4-ylacetamide is CC1CCN(CC(=O)N(Cc2ccc(=O)[nH]c2)C2CCNCC2)CC1.
What is the InChIKey of 2-(4-methylpiperidin-1-yl)-N-[(6-oxo-1H-pyridin-3-yl)methyl]-N-piperidin-4-ylacetamide?
The InChIKey is IIHZKUKAWIWJHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-15-6-10-22(11-7-15)14-19(25)23(17-4-8-20-9-5-17)13-16-2-3-18(24)21-12-16/h2-3,12,15,17,20H,4-11,13-14H2,1H3,(H,21,24).
What are the key properties of 2-(4-methylpiperidin-1-yl)-N-[(6-oxo-1H-pyridin-3-yl)methyl]-N-piperidin-4-ylacetamide?
2-(4-methylpiperidin-1-yl)-N-[(6-oxo-1H-pyridin-3-yl)methyl]-N-piperidin-4-ylacetamide has a molecular weight of 346.47 g/mol, XLogP of 1.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperidin-1-yl)-N-[(6-oxo-1H-pyridin-3-yl)methyl]-N-piperidin-4-ylacetamide is sourced from PubChem (CID 66580325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).