N-[3-[4-(5-chloropyrimidin-4-yl)piperazine-1-carbonyl]phenyl]cyclohexanecarboxamide

C22H26ClN5O2 — CID 100610600

IUPACN-[3-[4-(5-chloropyrimidin-4-yl)piperazine-1-carbonyl]phenyl]cyclohexanecarboxamide
SMILESO=C(Nc1cccc(C(=O)N2CCN(c3ncncc3Cl)CC2)c1)C1CCCCC1
InChIInChI=1S/C22H26ClN5O2/c23-19-14-24-15-25-20(19)27-9-11-28(12-10-27)22(30)17-7-4-8-18(13-17)26-21(29)16-5-2-1-3-6-16/h4,7-8,13-16H,1-3,5-6,9-12H2,(H,26,29)
InChIKeyJYUPIMUNTUMAJG-UHFFFAOYSA-N
MW427.94 g/mol
LogP3.61
Rot. Bonds4

About N-[3-[4-(5-chloropyrimidin-4-yl)piperazine-1-carbonyl]phenyl]cyclohexanecarboxamide

N-[3-[4-(5-chloropyrimidin-4-yl)piperazine-1-carbonyl]phenyl]cyclohexanecarboxamide (PubChem CID 100610600) has the molecular formula C22H26ClN5O2 and a molecular weight of 427.94 g/mol. Its IUPAC name is N-[3-[4-(5-chloropyrimidin-4-yl)piperazine-1-carbonyl]phenyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[3-[4-(5-chloropyrimidin-4-yl)piperazine-1-carbonyl]phenyl]cyclohexanecarboxamide
PubChem CID100610600
Molecular FormulaC22H26ClN5O2
Molecular Weight427.94 g/mol
Exact Mass427.18
IUPAC NameN-[3-[4-(5-chloropyrimidin-4-yl)piperazine-1-carbonyl]phenyl]cyclohexanecarboxamide
SMILESO=C(Nc1cccc(C(=O)N2CCN(c3ncncc3Cl)CC2)c1)C1CCCCC1
InChIInChI=1S/C22H26ClN5O2/c23-19-14-24-15-25-20(19)27-9-11-28(12-10-27)22(30)17-7-4-8-18(13-17)26-21(29)16-5-2-1-3-6-16/h4,7-8,13-16H,1-3,5-6,9-12H2,(H,26,29)
InChIKeyJYUPIMUNTUMAJG-UHFFFAOYSA-N
XLogP3.61
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.94
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[4-(3,4-dichlorobenzoyl)piperidine-1-carbonyl]phenyl]cyclohexanecarboxamide
CID 55955366
N-[3-[4-(2-morpholin-4-yl-2-oxoacetyl)piperazine-1-carbonyl]phenyl]cyclohexanecarboxamide
CID 55649623
N-[3-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]phenyl]cyclopropanecarboxamide
CID 31611202
N-[3-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazine-1-carbonyl]phenyl]cyclohexanecarboxamide
CID 55650668
N-[3-[4-(2-chlorophenyl)piperazine-1-carbonyl]phenyl]oxolane-2-carboxamide
CID 46559932
1-(cyclohexanecarbonyl)-N-[4-[2-oxo-2-[3-(piperidine-1-carbonyl)anilino]ethyl]phenyl]piperidine-4-carboxamide
CID 44825551
N-[3-[4-(2,5-dimethylphenyl)sulfonylpiperazine-1-carbonyl]phenyl]cyclohexanecarboxamide
CID 46429907
trans-(1S,2S)-2-[[3-(piperidine-1-carbonyl)phenyl]carbamoyl]cyclohexane-1-carboxylate
CID 6964103
N-[3-(piperidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide
CID 119740159
N-[3-[4-(3-chloro-2-pyridinyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide
CID 55821169
N-[3-[4-[(4-chlorophenyl)methyl]-1,4-diazepane-1-carbonyl]phenyl]cyclopropanecarboxamide
CID 37079087
1-[3-(cyclohexanecarbonylamino)benzoyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 33342519

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(5-chloropyrimidin-4-yl)piperazine-1-carbonyl]phenyl]cyclohexanecarboxamide?
The IUPAC name of N-[3-[4-(5-chloropyrimidin-4-yl)piperazine-1-carbonyl]phenyl]cyclohexanecarboxamide (CID 100610600) is N-[3-[4-(5-chloropyrimidin-4-yl)piperazine-1-carbonyl]phenyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[3-[4-(5-chloropyrimidin-4-yl)piperazine-1-carbonyl]phenyl]cyclohexanecarboxamide?
The canonical SMILES for N-[3-[4-(5-chloropyrimidin-4-yl)piperazine-1-carbonyl]phenyl]cyclohexanecarboxamide is O=C(Nc1cccc(C(=O)N2CCN(c3ncncc3Cl)CC2)c1)C1CCCCC1.
What is the InChIKey of N-[3-[4-(5-chloropyrimidin-4-yl)piperazine-1-carbonyl]phenyl]cyclohexanecarboxamide?
The InChIKey is JYUPIMUNTUMAJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN5O2/c23-19-14-24-15-25-20(19)27-9-11-28(12-10-27)22(30)17-7-4-8-18(13-17)26-21(29)16-5-2-1-3-6-16/h4,7-8,13-16H,1-3,5-6,9-12H2,(H,26,29).
What are the key properties of N-[3-[4-(5-chloropyrimidin-4-yl)piperazine-1-carbonyl]phenyl]cyclohexanecarboxamide?
N-[3-[4-(5-chloropyrimidin-4-yl)piperazine-1-carbonyl]phenyl]cyclohexanecarboxamide has a molecular weight of 427.94 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(5-chloropyrimidin-4-yl)piperazine-1-carbonyl]phenyl]cyclohexanecarboxamide is sourced from PubChem (CID 100610600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).