N-(5-chloropyrimidin-4-yl)piperidine-4-carboxamide

C10H13ClN4O — CID 142787332

IUPACN-(5-chloropyrimidin-4-yl)piperidine-4-carboxamide
SMILESO=C(Nc1ncncc1Cl)C1CCNCC1
InChIInChI=1S/C10H13ClN4O/c11-8-5-13-6-14-9(8)15-10(16)7-1-3-12-4-2-7/h5-7,12H,1-4H2,(H,13,14,15,16)
InChIKeySXMSLPDCTABVGM-UHFFFAOYSA-N
MW240.69 g/mol
LogP1.07
Rot. Bonds2

About N-(5-chloropyrimidin-4-yl)piperidine-4-carboxamide

N-(5-chloropyrimidin-4-yl)piperidine-4-carboxamide (PubChem CID 142787332) has the molecular formula C10H13ClN4O and a molecular weight of 240.69 g/mol. Its IUPAC name is N-(5-chloropyrimidin-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-chloropyrimidin-4-yl)piperidine-4-carboxamide
PubChem CID142787332
Molecular FormulaC10H13ClN4O
Molecular Weight240.69 g/mol
Exact Mass240.08
IUPAC NameN-(5-chloropyrimidin-4-yl)piperidine-4-carboxamide
SMILESO=C(Nc1ncncc1Cl)C1CCNCC1
InChIInChI=1S/C10H13ClN4O/c11-8-5-13-6-14-9(8)15-10(16)7-1-3-12-4-2-7/h5-7,12H,1-4H2,(H,13,14,15,16)
InChIKeySXMSLPDCTABVGM-UHFFFAOYSA-N
XLogP1.07
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.69
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloropyrimidin-4-yl)piperidine-4-carboxamide?
The IUPAC name of N-(5-chloropyrimidin-4-yl)piperidine-4-carboxamide (CID 142787332) is N-(5-chloropyrimidin-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(5-chloropyrimidin-4-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(5-chloropyrimidin-4-yl)piperidine-4-carboxamide is O=C(Nc1ncncc1Cl)C1CCNCC1.
What is the InChIKey of N-(5-chloropyrimidin-4-yl)piperidine-4-carboxamide?
The InChIKey is SXMSLPDCTABVGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN4O/c11-8-5-13-6-14-9(8)15-10(16)7-1-3-12-4-2-7/h5-7,12H,1-4H2,(H,13,14,15,16).
What are the key properties of N-(5-chloropyrimidin-4-yl)piperidine-4-carboxamide?
N-(5-chloropyrimidin-4-yl)piperidine-4-carboxamide has a molecular weight of 240.69 g/mol, XLogP of 1.07, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloropyrimidin-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 142787332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).