1-(6-chloro-2-propan-2-ylpyrimidin-4-yl)-N-methylpiperidine-2-carboxamide

C14H21ClN4O — CID 80954178

IUPAC1-(6-chloro-2-propan-2-ylpyrimidin-4-yl)-N-methylpiperidine-2-carboxamide
SMILESCNC(=O)C1CCCCN1c1cc(Cl)nc(C(C)C)n1
InChIInChI=1S/C14H21ClN4O/c1-9(2)13-17-11(15)8-12(18-13)19-7-5-4-6-10(19)14(20)16-3/h8-10H,4-7H2,1-3H3,(H,16,20)
InChIKeyZHCYGFRWCJXVJF-UHFFFAOYSA-N
MW296.80 g/mol
LogP2.36
Rot. Bonds3

About 1-(6-chloro-2-propan-2-ylpyrimidin-4-yl)-N-methylpiperidine-2-carboxamide

1-(6-chloro-2-propan-2-ylpyrimidin-4-yl)-N-methylpiperidine-2-carboxamide (PubChem CID 80954178) has the molecular formula C14H21ClN4O and a molecular weight of 296.80 g/mol. Its IUPAC name is 1-(6-chloro-2-propan-2-ylpyrimidin-4-yl)-N-methylpiperidine-2-carboxamide.

Molecular Properties

Compound Name1-(6-chloro-2-propan-2-ylpyrimidin-4-yl)-N-methylpiperidine-2-carboxamide
PubChem CID80954178
Molecular FormulaC14H21ClN4O
Molecular Weight296.80 g/mol
Exact Mass296.14
IUPAC Name1-(6-chloro-2-propan-2-ylpyrimidin-4-yl)-N-methylpiperidine-2-carboxamide
SMILESCNC(=O)C1CCCCN1c1cc(Cl)nc(C(C)C)n1
InChIInChI=1S/C14H21ClN4O/c1-9(2)13-17-11(15)8-12(18-13)19-7-5-4-6-10(19)14(20)16-3/h8-10H,4-7H2,1-3H3,(H,16,20)
InChIKeyZHCYGFRWCJXVJF-UHFFFAOYSA-N
XLogP2.36
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-2-propan-2-ylpyrimidin-4-yl)-N-methylpiperidine-2-carboxamide?
The IUPAC name of 1-(6-chloro-2-propan-2-ylpyrimidin-4-yl)-N-methylpiperidine-2-carboxamide (CID 80954178) is 1-(6-chloro-2-propan-2-ylpyrimidin-4-yl)-N-methylpiperidine-2-carboxamide.
What is the SMILES notation for 1-(6-chloro-2-propan-2-ylpyrimidin-4-yl)-N-methylpiperidine-2-carboxamide?
The canonical SMILES for 1-(6-chloro-2-propan-2-ylpyrimidin-4-yl)-N-methylpiperidine-2-carboxamide is CNC(=O)C1CCCCN1c1cc(Cl)nc(C(C)C)n1.
What is the InChIKey of 1-(6-chloro-2-propan-2-ylpyrimidin-4-yl)-N-methylpiperidine-2-carboxamide?
The InChIKey is ZHCYGFRWCJXVJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN4O/c1-9(2)13-17-11(15)8-12(18-13)19-7-5-4-6-10(19)14(20)16-3/h8-10H,4-7H2,1-3H3,(H,16,20).
What are the key properties of 1-(6-chloro-2-propan-2-ylpyrimidin-4-yl)-N-methylpiperidine-2-carboxamide?
1-(6-chloro-2-propan-2-ylpyrimidin-4-yl)-N-methylpiperidine-2-carboxamide has a molecular weight of 296.80 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-2-propan-2-ylpyrimidin-4-yl)-N-methylpiperidine-2-carboxamide is sourced from PubChem (CID 80954178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).