N-cyclohexyl-1-pyrimidin-2-ylpiperidine-4-carboxamide

C16H24N4O — CID 24792244

IUPACN-cyclohexyl-1-pyrimidin-2-ylpiperidine-4-carboxamide
SMILESO=C(NC1CCCCC1)C1CCN(c2ncccn2)CC1
InChIInChI=1S/C16H24N4O/c21-15(19-14-5-2-1-3-6-14)13-7-11-20(12-8-13)16-17-9-4-10-18-16/h4,9-10,13-14H,1-3,5-8,11-12H2,(H,19,21)
InChIKeyJMUQBAUCSASRPX-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.14
Rot. Bonds3

About N-cyclohexyl-1-pyrimidin-2-ylpiperidine-4-carboxamide

N-cyclohexyl-1-pyrimidin-2-ylpiperidine-4-carboxamide (PubChem CID 24792244) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is N-cyclohexyl-1-pyrimidin-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-1-pyrimidin-2-ylpiperidine-4-carboxamide
PubChem CID24792244
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC NameN-cyclohexyl-1-pyrimidin-2-ylpiperidine-4-carboxamide
SMILESO=C(NC1CCCCC1)C1CCN(c2ncccn2)CC1
InChIInChI=1S/C16H24N4O/c21-15(19-14-5-2-1-3-6-14)13-7-11-20(12-8-13)16-17-9-4-10-18-16/h4,9-10,13-14H,1-3,5-8,11-12H2,(H,19,21)
InChIKeyJMUQBAUCSASRPX-UHFFFAOYSA-N
XLogP2.14
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-pyrimidin-2-ylpiperidine-4-carboxamide?
The IUPAC name of N-cyclohexyl-1-pyrimidin-2-ylpiperidine-4-carboxamide (CID 24792244) is N-cyclohexyl-1-pyrimidin-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-cyclohexyl-1-pyrimidin-2-ylpiperidine-4-carboxamide?
The canonical SMILES for N-cyclohexyl-1-pyrimidin-2-ylpiperidine-4-carboxamide is O=C(NC1CCCCC1)C1CCN(c2ncccn2)CC1.
What is the InChIKey of N-cyclohexyl-1-pyrimidin-2-ylpiperidine-4-carboxamide?
The InChIKey is JMUQBAUCSASRPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c21-15(19-14-5-2-1-3-6-14)13-7-11-20(12-8-13)16-17-9-4-10-18-16/h4,9-10,13-14H,1-3,5-8,11-12H2,(H,19,21).
What are the key properties of N-cyclohexyl-1-pyrimidin-2-ylpiperidine-4-carboxamide?
N-cyclohexyl-1-pyrimidin-2-ylpiperidine-4-carboxamide has a molecular weight of 288.39 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-pyrimidin-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 24792244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).