N-(3-methylbutyl)-2-(2-oxo-4-piperidin-1-yl-1-pyridinyl)acetamide

C17H27N3O2 — CID 90670068

IUPACN-(3-methylbutyl)-2-(2-oxo-4-piperidin-1-yl-1-pyridinyl)acetamide
SMILESCC(C)CCNC(=O)Cn1ccc(N2CCCCC2)cc1=O
InChIInChI=1S/C17H27N3O2/c1-14(2)6-8-18-16(21)13-20-11-7-15(12-17(20)22)19-9-4-3-5-10-19/h7,11-12,14H,3-6,8-10,13H2,1-2H3,(H,18,21)
InChIKeyAGSHMXHKUOPBJR-UHFFFAOYSA-N
MW305.42 g/mol
LogP2.00
Rot. Bonds6

About N-(3-methylbutyl)-2-(2-oxo-4-piperidin-1-yl-1-pyridinyl)acetamide

N-(3-methylbutyl)-2-(2-oxo-4-piperidin-1-yl-1-pyridinyl)acetamide (PubChem CID 90670068) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is N-(3-methylbutyl)-2-(2-oxo-4-piperidin-1-yl-1-pyridinyl)acetamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-2-(2-oxo-4-piperidin-1-yl-1-pyridinyl)acetamide
PubChem CID90670068
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC NameN-(3-methylbutyl)-2-(2-oxo-4-piperidin-1-yl-1-pyridinyl)acetamide
SMILESCC(C)CCNC(=O)Cn1ccc(N2CCCCC2)cc1=O
InChIInChI=1S/C17H27N3O2/c1-14(2)6-8-18-16(21)13-20-11-7-15(12-17(20)22)19-9-4-3-5-10-19/h7,11-12,14H,3-6,8-10,13H2,1-2H3,(H,18,21)
InChIKeyAGSHMXHKUOPBJR-UHFFFAOYSA-N
XLogP2.00
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-2-(2-oxo-4-piperidin-1-yl-1-pyridinyl)acetamide?
The IUPAC name of N-(3-methylbutyl)-2-(2-oxo-4-piperidin-1-yl-1-pyridinyl)acetamide (CID 90670068) is N-(3-methylbutyl)-2-(2-oxo-4-piperidin-1-yl-1-pyridinyl)acetamide.
What is the SMILES notation for N-(3-methylbutyl)-2-(2-oxo-4-piperidin-1-yl-1-pyridinyl)acetamide?
The canonical SMILES for N-(3-methylbutyl)-2-(2-oxo-4-piperidin-1-yl-1-pyridinyl)acetamide is CC(C)CCNC(=O)Cn1ccc(N2CCCCC2)cc1=O.
What is the InChIKey of N-(3-methylbutyl)-2-(2-oxo-4-piperidin-1-yl-1-pyridinyl)acetamide?
The InChIKey is AGSHMXHKUOPBJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-14(2)6-8-18-16(21)13-20-11-7-15(12-17(20)22)19-9-4-3-5-10-19/h7,11-12,14H,3-6,8-10,13H2,1-2H3,(H,18,21).
What are the key properties of N-(3-methylbutyl)-2-(2-oxo-4-piperidin-1-yl-1-pyridinyl)acetamide?
N-(3-methylbutyl)-2-(2-oxo-4-piperidin-1-yl-1-pyridinyl)acetamide has a molecular weight of 305.42 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-2-(2-oxo-4-piperidin-1-yl-1-pyridinyl)acetamide is sourced from PubChem (CID 90670068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).