N-[[1-(6-acetyl-3-pyridinyl)piperidin-4-yl]methyl]acetamide

C15H21N3O2 — CID 102736440

IUPACN-[[1-(6-acetyl-3-pyridinyl)piperidin-4-yl]methyl]acetamide
SMILESCC(=O)NCC1CCN(c2ccc(C(C)=O)nc2)CC1
InChIInChI=1S/C15H21N3O2/c1-11(19)15-4-3-14(10-17-15)18-7-5-13(6-8-18)9-16-12(2)20/h3-4,10,13H,5-9H2,1-2H3,(H,16,20)
InChIKeyPLMRXUFOKPZPGX-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.64
Rot. Bonds4

About N-[[1-(6-acetyl-3-pyridinyl)piperidin-4-yl]methyl]acetamide

N-[[1-(6-acetyl-3-pyridinyl)piperidin-4-yl]methyl]acetamide (PubChem CID 102736440) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-[[1-(6-acetyl-3-pyridinyl)piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[1-(6-acetyl-3-pyridinyl)piperidin-4-yl]methyl]acetamide
PubChem CID102736440
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC NameN-[[1-(6-acetyl-3-pyridinyl)piperidin-4-yl]methyl]acetamide
SMILESCC(=O)NCC1CCN(c2ccc(C(C)=O)nc2)CC1
InChIInChI=1S/C15H21N3O2/c1-11(19)15-4-3-14(10-17-15)18-7-5-13(6-8-18)9-16-12(2)20/h3-4,10,13H,5-9H2,1-2H3,(H,16,20)
InChIKeyPLMRXUFOKPZPGX-UHFFFAOYSA-N
XLogP1.64
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-(4-methoxypiperidin-1-yl)-2-pyridinyl]ethanone
CID 83118736
N-[[1-[6-[1-(methylamino)ethyl]-3-pyridinyl]piperidin-4-yl]methyl]acetamide
CID 102736462
N-[[1-[6-[(1S)-1-aminopropyl]-3-pyridinyl]piperidin-4-yl]methyl]acetamide
CID 102736474
1-[5-(4-propylazepan-1-yl)-2-pyridinyl]ethanone
CID 83118890
1-[5-(3-hydroxy-4-methylpiperidin-1-yl)-2-pyridinyl]ethanone
CID 102958776
N-[[1-(4-methoxyphenyl)pyrrolidin-3-yl]methyl]acetamide
CID 110640530
1-[5-(4-phenylpiperazin-1-yl)-2-pyridinyl]ethanone
CID 83120198
1-(5-piperazin-1-yl-2-pyridinyl)ethanone
CID 79020099
1-[5-(4-tert-butylazepan-1-yl)-2-pyridinyl]ethanone
CID 83119164
N-[[1-(2-cyano-4-pyridinyl)piperidin-4-yl]methyl]acetamide
CID 102736284
(1-acetylpiperidin-4-yl)methyl 5-(4-methylpiperidin-1-yl)pyridine-2-carboxylate
CID 155266452
N-(3-methoxypropyl)-5-(4-methylpiperidin-1-yl)pyridine-2-carboxamide
CID 109183419

Frequently Asked Questions

What is the IUPAC name of N-[[1-(6-acetyl-3-pyridinyl)piperidin-4-yl]methyl]acetamide?
The IUPAC name of N-[[1-(6-acetyl-3-pyridinyl)piperidin-4-yl]methyl]acetamide (CID 102736440) is N-[[1-(6-acetyl-3-pyridinyl)piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for N-[[1-(6-acetyl-3-pyridinyl)piperidin-4-yl]methyl]acetamide?
The canonical SMILES for N-[[1-(6-acetyl-3-pyridinyl)piperidin-4-yl]methyl]acetamide is CC(=O)NCC1CCN(c2ccc(C(C)=O)nc2)CC1.
What is the InChIKey of N-[[1-(6-acetyl-3-pyridinyl)piperidin-4-yl]methyl]acetamide?
The InChIKey is PLMRXUFOKPZPGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-11(19)15-4-3-14(10-17-15)18-7-5-13(6-8-18)9-16-12(2)20/h3-4,10,13H,5-9H2,1-2H3,(H,16,20).
What are the key properties of N-[[1-(6-acetyl-3-pyridinyl)piperidin-4-yl]methyl]acetamide?
N-[[1-(6-acetyl-3-pyridinyl)piperidin-4-yl]methyl]acetamide has a molecular weight of 275.35 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(6-acetyl-3-pyridinyl)piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 102736440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).