2-[1-[(6-chloro-3-pyridinyl)methyl]piperidin-4-yl]acetamide

C13H18ClN3O — CID 54949208

IUPAC2-[1-[(6-chloro-3-pyridinyl)methyl]piperidin-4-yl]acetamide
SMILESNC(=O)CC1CCN(Cc2ccc(Cl)nc2)CC1
InChIInChI=1S/C13H18ClN3O/c14-12-2-1-11(8-16-12)9-17-5-3-10(4-6-17)7-13(15)18/h1-2,8,10H,3-7,9H2,(H2,15,18)
InChIKeyGVAQJSCNQUFXAM-UHFFFAOYSA-N
MW267.76 g/mol
LogP1.82
Rot. Bonds4

About 2-[1-[(6-chloro-3-pyridinyl)methyl]piperidin-4-yl]acetamide

2-[1-[(6-chloro-3-pyridinyl)methyl]piperidin-4-yl]acetamide (PubChem CID 54949208) has the molecular formula C13H18ClN3O and a molecular weight of 267.76 g/mol. Its IUPAC name is 2-[1-[(6-chloro-3-pyridinyl)methyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-[1-[(6-chloro-3-pyridinyl)methyl]piperidin-4-yl]acetamide
PubChem CID54949208
Molecular FormulaC13H18ClN3O
Molecular Weight267.76 g/mol
Exact Mass267.11
IUPAC Name2-[1-[(6-chloro-3-pyridinyl)methyl]piperidin-4-yl]acetamide
SMILESNC(=O)CC1CCN(Cc2ccc(Cl)nc2)CC1
InChIInChI=1S/C13H18ClN3O/c14-12-2-1-11(8-16-12)9-17-5-3-10(4-6-17)7-13(15)18/h1-2,8,10H,3-7,9H2,(H2,15,18)
InChIKeyGVAQJSCNQUFXAM-UHFFFAOYSA-N
XLogP1.82
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-[(6-chloro-3-pyridinyl)methyl]piperidin-4-amine
CID 43556713
2-[1-(6-chloropyridine-3-carbonyl)piperidin-4-yl]acetamide
CID 47290627
1-[(6-chloro-3-pyridinyl)methyl]-4-methylpiperidin-3-ol
CID 103898564
2-[1-[(3-aminophenyl)methyl]piperidin-4-yl]acetamide
CID 54990221
2-[1-(6-chloropyridazin-3-yl)piperidin-4-yl]acetamide
CID 54987893
1,7-bis[(6-chloro-3-pyridinyl)methyl]-1,4,7,10-tetrazacyclododecane
CID 102314847
1-benzyl-N-[(6-chloro-3-pyridinyl)methyl]piperidine-4-carboxamide
CID 136579030
1-[1-[(6-chloro-3-pyridinyl)methyl]pyrrolidin-3-yl]ethanamine
CID 112630186
6-[4-[(6-chloro-3-pyridinyl)methyl]piperazin-1-yl]pyrazine-2-carboxamide
CID 56723039
1-[(6-chloro-3-pyridinyl)methyl]-4-methylsulfonylpiperazine
CID 35150863
[1-[(6-amino-3-pyridinyl)methyl]piperidin-4-yl]methanol
CID 62176467
1-[4-[(6-chloro-3-pyridinyl)methyl]piperazin-1-yl]-2-(2,3-dihydro-1H-inden-1-yl)ethanone
CID 70761083

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(6-chloro-3-pyridinyl)methyl]piperidin-4-yl]acetamide?
The IUPAC name of 2-[1-[(6-chloro-3-pyridinyl)methyl]piperidin-4-yl]acetamide (CID 54949208) is 2-[1-[(6-chloro-3-pyridinyl)methyl]piperidin-4-yl]acetamide.
What is the SMILES notation for 2-[1-[(6-chloro-3-pyridinyl)methyl]piperidin-4-yl]acetamide?
The canonical SMILES for 2-[1-[(6-chloro-3-pyridinyl)methyl]piperidin-4-yl]acetamide is NC(=O)CC1CCN(Cc2ccc(Cl)nc2)CC1.
What is the InChIKey of 2-[1-[(6-chloro-3-pyridinyl)methyl]piperidin-4-yl]acetamide?
The InChIKey is GVAQJSCNQUFXAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O/c14-12-2-1-11(8-16-12)9-17-5-3-10(4-6-17)7-13(15)18/h1-2,8,10H,3-7,9H2,(H2,15,18).
What are the key properties of 2-[1-[(6-chloro-3-pyridinyl)methyl]piperidin-4-yl]acetamide?
2-[1-[(6-chloro-3-pyridinyl)methyl]piperidin-4-yl]acetamide has a molecular weight of 267.76 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(6-chloro-3-pyridinyl)methyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 54949208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).