2-(4,4-dimethylpiperidin-1-yl)-N-pyridin-3-ylacetamide

C14H21N3O — CID 90951013

IUPAC2-(4,4-dimethylpiperidin-1-yl)-N-pyridin-3-ylacetamide
SMILESCC1(C)CCN(CC(=O)Nc2cccnc2)CC1
InChIInChI=1S/C14H21N3O/c1-14(2)5-8-17(9-6-14)11-13(18)16-12-4-3-7-15-10-12/h3-4,7,10H,5-6,8-9,11H2,1-2H3,(H,16,18)
InChIKeyJGCCRRCJIIPPOV-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.14
Rot. Bonds3

About 2-(4,4-dimethylpiperidin-1-yl)-N-pyridin-3-ylacetamide

2-(4,4-dimethylpiperidin-1-yl)-N-pyridin-3-ylacetamide (PubChem CID 90951013) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-(4,4-dimethylpiperidin-1-yl)-N-pyridin-3-ylacetamide.

Molecular Properties

Compound Name2-(4,4-dimethylpiperidin-1-yl)-N-pyridin-3-ylacetamide
PubChem CID90951013
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name2-(4,4-dimethylpiperidin-1-yl)-N-pyridin-3-ylacetamide
SMILESCC1(C)CCN(CC(=O)Nc2cccnc2)CC1
InChIInChI=1S/C14H21N3O/c1-14(2)5-8-17(9-6-14)11-13(18)16-12-4-3-7-15-10-12/h3-4,7,10H,5-6,8-9,11H2,1-2H3,(H,16,18)
InChIKeyJGCCRRCJIIPPOV-UHFFFAOYSA-N
XLogP2.14
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-morpholin-4-yl-N-pyridin-3-ylacetamide
CID 124786353
2-piperazin-1-yl-N-pyridin-3-ylacetamide;hydrochloride
CID 156595313
2-[4-(oxane-4-carbonyl)piperazin-1-yl]-N-pyridin-3-ylacetamide
CID 74244540
2-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]-N-pyridin-3-ylacetamide
CID 90561328
2-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]-N-pyridin-3-ylacetamide
CID 90560854
2-cyclopropyl-N-pyridin-3-ylacetamide
CID 131129634
N-[4-(aminomethyl)phenyl]-2-(4,4-dimethylazepan-1-yl)acetamide
CID 65283923
2-(4-methylphenyl)-N-pyridin-3-ylacetamide
CID 890802
2-[4-[2-oxo-2-(pyridin-3-ylamino)ethyl]phenyl]-N-pyridin-3-ylacetamide
CID 177434462
2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-pyridin-3-ylacetamide
CID 4882227
2-(cyclopropylmethylamino)-N-pyridin-3-ylacetamide;dihydrochloride
CID 119827153
2-(3,3-dimethyl-2-methylsulfonyl-2,8-diazaspiro[4.5]decan-8-yl)-N-(4-pyridin-3-yloxyphenyl)acetamide
CID 110077792

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-dimethylpiperidin-1-yl)-N-pyridin-3-ylacetamide?
The IUPAC name of 2-(4,4-dimethylpiperidin-1-yl)-N-pyridin-3-ylacetamide (CID 90951013) is 2-(4,4-dimethylpiperidin-1-yl)-N-pyridin-3-ylacetamide.
What is the SMILES notation for 2-(4,4-dimethylpiperidin-1-yl)-N-pyridin-3-ylacetamide?
The canonical SMILES for 2-(4,4-dimethylpiperidin-1-yl)-N-pyridin-3-ylacetamide is CC1(C)CCN(CC(=O)Nc2cccnc2)CC1.
What is the InChIKey of 2-(4,4-dimethylpiperidin-1-yl)-N-pyridin-3-ylacetamide?
The InChIKey is JGCCRRCJIIPPOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-14(2)5-8-17(9-6-14)11-13(18)16-12-4-3-7-15-10-12/h3-4,7,10H,5-6,8-9,11H2,1-2H3,(H,16,18).
What are the key properties of 2-(4,4-dimethylpiperidin-1-yl)-N-pyridin-3-ylacetamide?
2-(4,4-dimethylpiperidin-1-yl)-N-pyridin-3-ylacetamide has a molecular weight of 247.34 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-dimethylpiperidin-1-yl)-N-pyridin-3-ylacetamide is sourced from PubChem (CID 90951013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).