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

C15H23N5O — CID 2235451

IUPACN-cyclohexyl-4-pyrimidin-2-ylpiperazine-1-carboxamide
SMILESO=C(NC1CCCCC1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C15H23N5O/c21-15(18-13-5-2-1-3-6-13)20-11-9-19(10-12-20)14-16-7-4-8-17-14/h4,7-8,13H,1-3,5-6,9-12H2,(H,18,21)
InChIKeyGYDHLYKRFVTSGV-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.64
Rot. Bonds2

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

N-cyclohexyl-4-pyrimidin-2-ylpiperazine-1-carboxamide (PubChem CID 2235451) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is N-cyclohexyl-4-pyrimidin-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4-pyrimidin-2-ylpiperazine-1-carboxamide
PubChem CID2235451
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC NameN-cyclohexyl-4-pyrimidin-2-ylpiperazine-1-carboxamide
SMILESO=C(NC1CCCCC1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C15H23N5O/c21-15(18-13-5-2-1-3-6-13)20-11-9-19(10-12-20)14-16-7-4-8-17-14/h4,7-8,13H,1-3,5-6,9-12H2,(H,18,21)
InChIKeyGYDHLYKRFVTSGV-UHFFFAOYSA-N
XLogP1.64
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-pyrimidin-2-ylpiperazine-1-carboxamide?
The IUPAC name of N-cyclohexyl-4-pyrimidin-2-ylpiperazine-1-carboxamide (CID 2235451) is N-cyclohexyl-4-pyrimidin-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-4-pyrimidin-2-ylpiperazine-1-carboxamide?
The canonical SMILES for N-cyclohexyl-4-pyrimidin-2-ylpiperazine-1-carboxamide is O=C(NC1CCCCC1)N1CCN(c2ncccn2)CC1.
What is the InChIKey of N-cyclohexyl-4-pyrimidin-2-ylpiperazine-1-carboxamide?
The InChIKey is GYDHLYKRFVTSGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O/c21-15(18-13-5-2-1-3-6-13)20-11-9-19(10-12-20)14-16-7-4-8-17-14/h4,7-8,13H,1-3,5-6,9-12H2,(H,18,21).
What are the key properties of N-cyclohexyl-4-pyrimidin-2-ylpiperazine-1-carboxamide?
N-cyclohexyl-4-pyrimidin-2-ylpiperazine-1-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-pyrimidin-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 2235451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).