1-(6-chloropyrimidin-4-yl)-6-methylpiperidine-3-carboxamide

C11H15ClN4O — CID 54987892

IUPAC1-(6-chloropyrimidin-4-yl)-6-methylpiperidine-3-carboxamide
SMILESCC1CCC(C(N)=O)CN1c1cc(Cl)ncn1
InChIInChI=1S/C11H15ClN4O/c1-7-2-3-8(11(13)17)5-16(7)10-4-9(12)14-6-15-10/h4,6-8H,2-3,5H2,1H3,(H2,13,17)
InChIKeyDXKBBJMUEFYZBD-UHFFFAOYSA-N
MW254.72 g/mol
LogP1.22
Rot. Bonds2

About 1-(6-chloropyrimidin-4-yl)-6-methylpiperidine-3-carboxamide

1-(6-chloropyrimidin-4-yl)-6-methylpiperidine-3-carboxamide (PubChem CID 54987892) has the molecular formula C11H15ClN4O and a molecular weight of 254.72 g/mol. Its IUPAC name is 1-(6-chloropyrimidin-4-yl)-6-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(6-chloropyrimidin-4-yl)-6-methylpiperidine-3-carboxamide
PubChem CID54987892
Molecular FormulaC11H15ClN4O
Molecular Weight254.72 g/mol
Exact Mass254.09
IUPAC Name1-(6-chloropyrimidin-4-yl)-6-methylpiperidine-3-carboxamide
SMILESCC1CCC(C(N)=O)CN1c1cc(Cl)ncn1
InChIInChI=1S/C11H15ClN4O/c1-7-2-3-8(11(13)17)5-16(7)10-4-9(12)14-6-15-10/h4,6-8H,2-3,5H2,1H3,(H2,13,17)
InChIKeyDXKBBJMUEFYZBD-UHFFFAOYSA-N
XLogP1.22
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(6-chloropyrimidin-4-yl)-6-methylpiperidine-3-carboxamide?
The IUPAC name of 1-(6-chloropyrimidin-4-yl)-6-methylpiperidine-3-carboxamide (CID 54987892) is 1-(6-chloropyrimidin-4-yl)-6-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(6-chloropyrimidin-4-yl)-6-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-(6-chloropyrimidin-4-yl)-6-methylpiperidine-3-carboxamide is CC1CCC(C(N)=O)CN1c1cc(Cl)ncn1.
What is the InChIKey of 1-(6-chloropyrimidin-4-yl)-6-methylpiperidine-3-carboxamide?
The InChIKey is DXKBBJMUEFYZBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN4O/c1-7-2-3-8(11(13)17)5-16(7)10-4-9(12)14-6-15-10/h4,6-8H,2-3,5H2,1H3,(H2,13,17).
What are the key properties of 1-(6-chloropyrimidin-4-yl)-6-methylpiperidine-3-carboxamide?
1-(6-chloropyrimidin-4-yl)-6-methylpiperidine-3-carboxamide has a molecular weight of 254.72 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloropyrimidin-4-yl)-6-methylpiperidine-3-carboxamide is sourced from PubChem (CID 54987892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).