1-(2-chloropyrimidin-4-yl)piperidine-4-carboxamide

C10H13ClN4O — CID 53338826

IUPAC1-(2-chloropyrimidin-4-yl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2ccnc(Cl)n2)CC1
InChIInChI=1S/C10H13ClN4O/c11-10-13-4-1-8(14-10)15-5-2-7(3-6-15)9(12)16/h1,4,7H,2-3,5-6H2,(H2,12,16)
InChIKeyMFIIMKQJXHRVNR-UHFFFAOYSA-N
MW240.69 g/mol
LogP0.83
Rot. Bonds2

About 1-(2-chloropyrimidin-4-yl)piperidine-4-carboxamide

1-(2-chloropyrimidin-4-yl)piperidine-4-carboxamide (PubChem CID 53338826) has the molecular formula C10H13ClN4O and a molecular weight of 240.69 g/mol. Its IUPAC name is 1-(2-chloropyrimidin-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-chloropyrimidin-4-yl)piperidine-4-carboxamide
PubChem CID53338826
Molecular FormulaC10H13ClN4O
Molecular Weight240.69 g/mol
Exact Mass240.08
IUPAC Name1-(2-chloropyrimidin-4-yl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2ccnc(Cl)n2)CC1
InChIInChI=1S/C10H13ClN4O/c11-10-13-4-1-8(14-10)15-5-2-7(3-6-15)9(12)16/h1,4,7H,2-3,5-6H2,(H2,12,16)
InChIKeyMFIIMKQJXHRVNR-UHFFFAOYSA-N
XLogP0.83
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.69
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloropyrimidin-4-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(2-chloropyrimidin-4-yl)piperidine-4-carboxamide (CID 53338826) is 1-(2-chloropyrimidin-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-chloropyrimidin-4-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2-chloropyrimidin-4-yl)piperidine-4-carboxamide is NC(=O)C1CCN(c2ccnc(Cl)n2)CC1.
What is the InChIKey of 1-(2-chloropyrimidin-4-yl)piperidine-4-carboxamide?
The InChIKey is MFIIMKQJXHRVNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN4O/c11-10-13-4-1-8(14-10)15-5-2-7(3-6-15)9(12)16/h1,4,7H,2-3,5-6H2,(H2,12,16).
What are the key properties of 1-(2-chloropyrimidin-4-yl)piperidine-4-carboxamide?
1-(2-chloropyrimidin-4-yl)piperidine-4-carboxamide has a molecular weight of 240.69 g/mol, XLogP of 0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloropyrimidin-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 53338826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).