N-(2-acetamidoethyl)-4-[(2-methyl-3-pyridinyl)oxy]piperidine-4-carboxamide

C16H24N4O3 — CID 50959560

IUPACN-(2-acetamidoethyl)-4-[(2-methyl-3-pyridinyl)oxy]piperidine-4-carboxamide
SMILESCC(=O)NCCNC(=O)C1(Oc2cccnc2C)CCNCC1
InChIInChI=1S/C16H24N4O3/c1-12-14(4-3-7-18-12)23-16(5-8-17-9-6-16)15(22)20-11-10-19-13(2)21/h3-4,7,17H,5-6,8-11H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyDDSQNOZDENHYMD-UHFFFAOYSA-N
MW320.39 g/mol
LogP0.14
Rot. Bonds6

About N-(2-acetamidoethyl)-4-[(2-methyl-3-pyridinyl)oxy]piperidine-4-carboxamide

N-(2-acetamidoethyl)-4-[(2-methyl-3-pyridinyl)oxy]piperidine-4-carboxamide (PubChem CID 50959560) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-4-[(2-methyl-3-pyridinyl)oxy]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-acetamidoethyl)-4-[(2-methyl-3-pyridinyl)oxy]piperidine-4-carboxamide
PubChem CID50959560
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC NameN-(2-acetamidoethyl)-4-[(2-methyl-3-pyridinyl)oxy]piperidine-4-carboxamide
SMILESCC(=O)NCCNC(=O)C1(Oc2cccnc2C)CCNCC1
InChIInChI=1S/C16H24N4O3/c1-12-14(4-3-7-18-12)23-16(5-8-17-9-6-16)15(22)20-11-10-19-13(2)21/h3-4,7,17H,5-6,8-11H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyDDSQNOZDENHYMD-UHFFFAOYSA-N
XLogP0.14
TPSA92.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidoethyl)-4-[(2-methyl-3-pyridinyl)oxy]piperidine-4-carboxamide?
The IUPAC name of N-(2-acetamidoethyl)-4-[(2-methyl-3-pyridinyl)oxy]piperidine-4-carboxamide (CID 50959560) is N-(2-acetamidoethyl)-4-[(2-methyl-3-pyridinyl)oxy]piperidine-4-carboxamide.
What is the SMILES notation for N-(2-acetamidoethyl)-4-[(2-methyl-3-pyridinyl)oxy]piperidine-4-carboxamide?
The canonical SMILES for N-(2-acetamidoethyl)-4-[(2-methyl-3-pyridinyl)oxy]piperidine-4-carboxamide is CC(=O)NCCNC(=O)C1(Oc2cccnc2C)CCNCC1.
What is the InChIKey of N-(2-acetamidoethyl)-4-[(2-methyl-3-pyridinyl)oxy]piperidine-4-carboxamide?
The InChIKey is DDSQNOZDENHYMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3/c1-12-14(4-3-7-18-12)23-16(5-8-17-9-6-16)15(22)20-11-10-19-13(2)21/h3-4,7,17H,5-6,8-11H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N-(2-acetamidoethyl)-4-[(2-methyl-3-pyridinyl)oxy]piperidine-4-carboxamide?
N-(2-acetamidoethyl)-4-[(2-methyl-3-pyridinyl)oxy]piperidine-4-carboxamide has a molecular weight of 320.39 g/mol, XLogP of 0.14, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidoethyl)-4-[(2-methyl-3-pyridinyl)oxy]piperidine-4-carboxamide is sourced from PubChem (CID 50959560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).