(4-cyclohexylphenyl)-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methanone

C24H31N5O — CID 68777898

IUPAC(4-cyclohexylphenyl)-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methanone
SMILESO=C(c1ccc(C2CCCCC2)cc1)N1CC(N2CCN(c3ncccn3)CC2)C1
InChIInChI=1S/C24H31N5O/c30-23(21-9-7-20(8-10-21)19-5-2-1-3-6-19)29-17-22(18-29)27-13-15-28(16-14-27)24-25-11-4-12-26-24/h4,7-12,19,22H,1-3,5-6,13-18H2
InChIKeyGQDQJKYUALCZNP-UHFFFAOYSA-N
MW405.55 g/mol
LogP3.17
Rot. Bonds4

About (4-cyclohexylphenyl)-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methanone

(4-cyclohexylphenyl)-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methanone (PubChem CID 68777898) has the molecular formula C24H31N5O and a molecular weight of 405.55 g/mol. Its IUPAC name is (4-cyclohexylphenyl)-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methanone.

Molecular Properties

Compound Name(4-cyclohexylphenyl)-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methanone
PubChem CID68777898
Molecular FormulaC24H31N5O
Molecular Weight405.55 g/mol
Exact Mass405.25
IUPAC Name(4-cyclohexylphenyl)-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methanone
SMILESO=C(c1ccc(C2CCCCC2)cc1)N1CC(N2CCN(c3ncccn3)CC2)C1
InChIInChI=1S/C24H31N5O/c30-23(21-9-7-20(8-10-21)19-5-2-1-3-6-19)29-17-22(18-29)27-13-15-28(16-14-27)24-25-11-4-12-26-24/h4,7-12,19,22H,1-3,5-6,13-18H2
InChIKeyGQDQJKYUALCZNP-UHFFFAOYSA-N
XLogP3.17
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.55
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-cyclohexylphenyl)-pyrrolidin-1-ylmethanone
CID 78791688
2-[4-(4-phenylcyclohexyl)piperazin-1-yl]pyrimidine
CID 19958540
(4-cyclohexylphenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 86877330
1-[4-(4-cyclohexylbenzoyl)piperazin-1-yl]ethanone
CID 110761379
(2-methyl-1,3-oxazol-4-yl)-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methanone
CID 126893796
(4-phenoxyphenyl)-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]methanone
CID 90146309
(4-pyrimidin-2-ylpiperazin-1-yl)-(4-pyrrolidin-1-ylphenyl)methanone
CID 110295154
(4-cyclohexylphenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 119487583
[6-(cyclopentylamino)-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109152191
(4-methylthiadiazol-5-yl)-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methanone
CID 126893719
(4-piperidin-4-ylphenyl)-[3-[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone
CID 68782207
phenyl-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methanone
CID 39998474

Frequently Asked Questions

What is the IUPAC name of (4-cyclohexylphenyl)-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methanone?
The IUPAC name of (4-cyclohexylphenyl)-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methanone (CID 68777898) is (4-cyclohexylphenyl)-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methanone.
What is the SMILES notation for (4-cyclohexylphenyl)-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methanone?
The canonical SMILES for (4-cyclohexylphenyl)-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methanone is O=C(c1ccc(C2CCCCC2)cc1)N1CC(N2CCN(c3ncccn3)CC2)C1.
What is the InChIKey of (4-cyclohexylphenyl)-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methanone?
The InChIKey is GQDQJKYUALCZNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O/c30-23(21-9-7-20(8-10-21)19-5-2-1-3-6-19)29-17-22(18-29)27-13-15-28(16-14-27)24-25-11-4-12-26-24/h4,7-12,19,22H,1-3,5-6,13-18H2.
What are the key properties of (4-cyclohexylphenyl)-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methanone?
(4-cyclohexylphenyl)-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methanone has a molecular weight of 405.55 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclohexylphenyl)-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methanone is sourced from PubChem (CID 68777898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).