N-[1-(6-chloro-2-pyridinyl)-4-methylpiperidin-4-yl]acetamide

C13H18ClN3O — CID 19694928

IUPACN-[1-(6-chloro-2-pyridinyl)-4-methylpiperidin-4-yl]acetamide
SMILESCC(=O)NC1(C)CCN(c2cccc(Cl)n2)CC1
InChIInChI=1S/C13H18ClN3O/c1-10(18)16-13(2)6-8-17(9-7-13)12-5-3-4-11(14)15-12/h3-5H,6-9H2,1-2H3,(H,16,18)
InChIKeySQPUESNIBRENPC-UHFFFAOYSA-N
MW267.76 g/mol
LogP2.23
Rot. Bonds2

About N-[1-(6-chloro-2-pyridinyl)-4-methylpiperidin-4-yl]acetamide

N-[1-(6-chloro-2-pyridinyl)-4-methylpiperidin-4-yl]acetamide (PubChem CID 19694928) has the molecular formula C13H18ClN3O and a molecular weight of 267.76 g/mol. Its IUPAC name is N-[1-(6-chloro-2-pyridinyl)-4-methylpiperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-(6-chloro-2-pyridinyl)-4-methylpiperidin-4-yl]acetamide
PubChem CID19694928
Molecular FormulaC13H18ClN3O
Molecular Weight267.76 g/mol
Exact Mass267.11
IUPAC NameN-[1-(6-chloro-2-pyridinyl)-4-methylpiperidin-4-yl]acetamide
SMILESCC(=O)NC1(C)CCN(c2cccc(Cl)n2)CC1
InChIInChI=1S/C13H18ClN3O/c1-10(18)16-13(2)6-8-17(9-7-13)12-5-3-4-11(14)15-12/h3-5H,6-9H2,1-2H3,(H,16,18)
InChIKeySQPUESNIBRENPC-UHFFFAOYSA-N
XLogP2.23
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 52.23
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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Frequently Asked Questions

What is the IUPAC name of N-[1-(6-chloro-2-pyridinyl)-4-methylpiperidin-4-yl]acetamide?
The IUPAC name of N-[1-(6-chloro-2-pyridinyl)-4-methylpiperidin-4-yl]acetamide (CID 19694928) is N-[1-(6-chloro-2-pyridinyl)-4-methylpiperidin-4-yl]acetamide.
What is the SMILES notation for N-[1-(6-chloro-2-pyridinyl)-4-methylpiperidin-4-yl]acetamide?
The canonical SMILES for N-[1-(6-chloro-2-pyridinyl)-4-methylpiperidin-4-yl]acetamide is CC(=O)NC1(C)CCN(c2cccc(Cl)n2)CC1.
What is the InChIKey of N-[1-(6-chloro-2-pyridinyl)-4-methylpiperidin-4-yl]acetamide?
The InChIKey is SQPUESNIBRENPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O/c1-10(18)16-13(2)6-8-17(9-7-13)12-5-3-4-11(14)15-12/h3-5H,6-9H2,1-2H3,(H,16,18).
What are the key properties of N-[1-(6-chloro-2-pyridinyl)-4-methylpiperidin-4-yl]acetamide?
N-[1-(6-chloro-2-pyridinyl)-4-methylpiperidin-4-yl]acetamide has a molecular weight of 267.76 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-chloro-2-pyridinyl)-4-methylpiperidin-4-yl]acetamide is sourced from PubChem (CID 19694928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).