N-cyclohexyl-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclohexane-1-carboxamide

C22H33N5O2 — CID 109146126

IUPACN-cyclohexyl-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
SMILESO=C(NC1CCCCC1)C1CCC(C(=O)N2CCN(c3ncccn3)CC2)CC1
InChIInChI=1S/C22H33N5O2/c28-20(25-19-5-2-1-3-6-19)17-7-9-18(10-8-17)21(29)26-13-15-27(16-14-26)22-23-11-4-12-24-22/h4,11-12,17-19H,1-3,5-10,13-16H2,(H,25,28)
InChIKeyFFEDNBATJVBCLM-UHFFFAOYSA-N
MW399.54 g/mol
LogP2.38
Rot. Bonds4

About N-cyclohexyl-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclohexane-1-carboxamide

N-cyclohexyl-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclohexane-1-carboxamide (PubChem CID 109146126) has the molecular formula C22H33N5O2 and a molecular weight of 399.54 g/mol. Its IUPAC name is N-cyclohexyl-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
PubChem CID109146126
Molecular FormulaC22H33N5O2
Molecular Weight399.54 g/mol
Exact Mass399.26
IUPAC NameN-cyclohexyl-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
SMILESO=C(NC1CCCCC1)C1CCC(C(=O)N2CCN(c3ncccn3)CC2)CC1
InChIInChI=1S/C22H33N5O2/c28-20(25-19-5-2-1-3-6-19)17-7-9-18(10-8-17)21(29)26-13-15-27(16-14-26)22-23-11-4-12-24-22/h4,11-12,17-19H,1-3,5-10,13-16H2,(H,25,28)
InChIKeyFFEDNBATJVBCLM-UHFFFAOYSA-N
XLogP2.38
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.54
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cycloheptyl-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 108990409
N-cyclohexyl-1-[1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]piperidine-4-carboxamide
CID 60598944
N-phenyl-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
CID 109149397
N-cyclopropyl-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109130885
(3S)-N-cycloheptyl-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 1452540
N-cycloheptyl-3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 108950957
1-(cyclohexanecarbonyl)-N-cyclopentylpiperidine-4-carboxamide
CID 113002958
N-cyclohexyl-1-(2-piperidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide
CID 53146198
N-cyclohexyl-4-(4-formylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
CID 109146089
piperidin-4-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone;dihydrochloride
CID 119827947
(3R)-N-cyclopropyl-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 6557829
N-cyclopropyl-2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 47281905

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclohexane-1-carboxamide?
The IUPAC name of N-cyclohexyl-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclohexane-1-carboxamide (CID 109146126) is N-cyclohexyl-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-cyclohexyl-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclohexane-1-carboxamide is O=C(NC1CCCCC1)C1CCC(C(=O)N2CCN(c3ncccn3)CC2)CC1.
What is the InChIKey of N-cyclohexyl-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclohexane-1-carboxamide?
The InChIKey is FFEDNBATJVBCLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N5O2/c28-20(25-19-5-2-1-3-6-19)17-7-9-18(10-8-17)21(29)26-13-15-27(16-14-26)22-23-11-4-12-24-22/h4,11-12,17-19H,1-3,5-10,13-16H2,(H,25,28).
What are the key properties of N-cyclohexyl-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclohexane-1-carboxamide?
N-cyclohexyl-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclohexane-1-carboxamide has a molecular weight of 399.54 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 109146126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).