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

C22H27N5O2 — CID 109149397

IUPACN-phenyl-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
SMILESO=C(Nc1ccccc1)C1CCC(C(=O)N2CCN(c3ncccn3)CC2)CC1
InChIInChI=1S/C22H27N5O2/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/h1-6,11-12,17-18H,7-10,13-16H2,(H,25,28)
InChIKeyICYJMKWMGWTAFK-UHFFFAOYSA-N
MW393.49 g/mol
LogP2.57
Rot. Bonds4

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

N-phenyl-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclohexane-1-carboxamide (PubChem CID 109149397) has the molecular formula C22H27N5O2 and a molecular weight of 393.49 g/mol. Its IUPAC name is N-phenyl-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-phenyl-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
PubChem CID109149397
Molecular FormulaC22H27N5O2
Molecular Weight393.49 g/mol
Exact Mass393.22
IUPAC NameN-phenyl-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
SMILESO=C(Nc1ccccc1)C1CCC(C(=O)N2CCN(c3ncccn3)CC2)CC1
InChIInChI=1S/C22H27N5O2/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/h1-6,11-12,17-18H,7-10,13-16H2,(H,25,28)
InChIKeyICYJMKWMGWTAFK-UHFFFAOYSA-N
XLogP2.57
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-acetylpiperazine-1-carbonyl)-N-phenylcyclohexane-1-carboxamide
CID 109147706
N-cyclohexyl-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
CID 109146126
(3R)-N-phenyl-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 51443831
4-(morpholine-4-carbonyl)-N-phenylcyclohexane-1-carboxamide
CID 109146802
N-[4-[(1R)-1-hydroxy-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]phenyl]cyclopropanecarboxamide
CID 51590883
N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]cyclobutanecarboxamide
CID 122299328
1-(cyclopropanecarbonyl)-N-(4-phenylphenyl)piperidine-4-carboxamide
CID 51155668
piperidin-4-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone;dihydrochloride
CID 119827947
N-(4-methoxyphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 3223122
N-(4-ethylphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 3223112
N-[5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)thiophen-2-yl]cyclopropanecarboxamide
CID 17493933
N-[5-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-pyridinyl]cyclopropanecarboxamide
CID 75420475

Frequently Asked Questions

What is the IUPAC name of N-phenyl-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclohexane-1-carboxamide?
The IUPAC name of N-phenyl-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclohexane-1-carboxamide (CID 109149397) is N-phenyl-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-phenyl-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-phenyl-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-phenyl-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclohexane-1-carboxamide?
The InChIKey is ICYJMKWMGWTAFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O2/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/h1-6,11-12,17-18H,7-10,13-16H2,(H,25,28).
What are the key properties of N-phenyl-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclohexane-1-carboxamide?
N-phenyl-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclohexane-1-carboxamide has a molecular weight of 393.49 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 109149397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).