1-acetyl-N-[[6-(dimethylamino)-2-pyridinyl]methyl]piperidine-2-carboxamide

C16H24N4O2 — CID 138997554

IUPAC1-acetyl-N-[[6-(dimethylamino)-2-pyridinyl]methyl]piperidine-2-carboxamide
SMILESCC(=O)N1CCCCC1C(=O)NCc1cccc(N(C)C)n1
InChIInChI=1S/C16H24N4O2/c1-12(21)20-10-5-4-8-14(20)16(22)17-11-13-7-6-9-15(18-13)19(2)3/h6-7,9,14H,4-5,8,10-11H2,1-3H3,(H,17,22)
InChIKeyJMKCJISBTLUSKR-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.16
Rot. Bonds4

About 1-acetyl-N-[[6-(dimethylamino)-2-pyridinyl]methyl]piperidine-2-carboxamide

1-acetyl-N-[[6-(dimethylamino)-2-pyridinyl]methyl]piperidine-2-carboxamide (PubChem CID 138997554) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 1-acetyl-N-[[6-(dimethylamino)-2-pyridinyl]methyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[[6-(dimethylamino)-2-pyridinyl]methyl]piperidine-2-carboxamide
PubChem CID138997554
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name1-acetyl-N-[[6-(dimethylamino)-2-pyridinyl]methyl]piperidine-2-carboxamide
SMILESCC(=O)N1CCCCC1C(=O)NCc1cccc(N(C)C)n1
InChIInChI=1S/C16H24N4O2/c1-12(21)20-10-5-4-8-14(20)16(22)17-11-13-7-6-9-15(18-13)19(2)3/h6-7,9,14H,4-5,8,10-11H2,1-3H3,(H,17,22)
InChIKeyJMKCJISBTLUSKR-UHFFFAOYSA-N
XLogP1.16
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-acetyl-N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]piperidine-2-carboxamide
CID 124569412
5-[[6-(dimethylamino)-2-pyridinyl]methylcarbamoyl]-1-methylpiperidine-2-carboxylic acid
CID 167835995
N-[[6-(dimethylamino)-2-pyridinyl]methyl]-8-oxobicyclo[3.2.1]octane-3-carboxamide
CID 102560663
N-[[6-(dimethylamino)-2-pyridinyl]methyl]-4-methylmorpholine-2-carboxamide
CID 138993707
(2S,4S)-N-[[6-(dimethylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120640192
1-acetyl-N-[5-(dimethylamino)-2-pyridinyl]piperidine-2-carboxamide
CID 167862943
1-[(1S)-1-cyclopropyl-2-methoxyethyl]-3-[[6-(dimethylamino)-2-pyridinyl]methyl]urea
CID 97242533
1-(1-tert-butylpiperidin-4-yl)-3-[[6-(dimethylamino)-2-pyridinyl]methyl]urea
CID 146122561
1-acetyl-N-[2-(N-methylanilino)ethyl]pyrrolidine-2-carboxamide
CID 86911818
N-cyclopropyl-3-[[N-[[6-(dimethylamino)-2-pyridinyl]methyl]-N'-methylcarbamimidoyl]amino]cyclohexane-1-carboxamide;hydroiodide
CID 109405958
N-[[6-(dimethylamino)-2-pyridinyl]methyl]-1,1-dioxo-1,4-thiazepane-4-carboxamide
CID 127714121
1-acetyl-N-[(5-chloro-2-methylphenyl)methyl]piperidine-2-carboxamide
CID 119044208

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[[6-(dimethylamino)-2-pyridinyl]methyl]piperidine-2-carboxamide?
The IUPAC name of 1-acetyl-N-[[6-(dimethylamino)-2-pyridinyl]methyl]piperidine-2-carboxamide (CID 138997554) is 1-acetyl-N-[[6-(dimethylamino)-2-pyridinyl]methyl]piperidine-2-carboxamide.
What is the SMILES notation for 1-acetyl-N-[[6-(dimethylamino)-2-pyridinyl]methyl]piperidine-2-carboxamide?
The canonical SMILES for 1-acetyl-N-[[6-(dimethylamino)-2-pyridinyl]methyl]piperidine-2-carboxamide is CC(=O)N1CCCCC1C(=O)NCc1cccc(N(C)C)n1.
What is the InChIKey of 1-acetyl-N-[[6-(dimethylamino)-2-pyridinyl]methyl]piperidine-2-carboxamide?
The InChIKey is JMKCJISBTLUSKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-12(21)20-10-5-4-8-14(20)16(22)17-11-13-7-6-9-15(18-13)19(2)3/h6-7,9,14H,4-5,8,10-11H2,1-3H3,(H,17,22).
What are the key properties of 1-acetyl-N-[[6-(dimethylamino)-2-pyridinyl]methyl]piperidine-2-carboxamide?
1-acetyl-N-[[6-(dimethylamino)-2-pyridinyl]methyl]piperidine-2-carboxamide has a molecular weight of 304.39 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[[6-(dimethylamino)-2-pyridinyl]methyl]piperidine-2-carboxamide is sourced from PubChem (CID 138997554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).