(4-chloro-3-morpholin-4-ylphenyl)-[3-[6-(dimethylamino)-2-methylpyrimidin-4-yl]-3-methylpiperidin-1-yl]methanone

C24H32ClN5O2 — CID 110150806

IUPAC(4-chloro-3-morpholin-4-ylphenyl)-[3-[6-(dimethylamino)-2-methylpyrimidin-4-yl]-3-methylpiperidin-1-yl]methanone
SMILESCc1nc(N(C)C)cc(C2(C)CCCN(C(=O)c3ccc(Cl)c(N4CCOCC4)c3)C2)n1
InChIInChI=1S/C24H32ClN5O2/c1-17-26-21(15-22(27-17)28(3)4)24(2)8-5-9-30(16-24)23(31)18-6-7-19(25)20(14-18)29-10-12-32-13-11-29/h6-7,14-15H,5,8-13,16H2,1-4H3
InChIKeyRIURPPGIXSHRPY-UHFFFAOYSA-N
MW458.01 g/mol
LogP3.53
Rot. Bonds4

About (4-chloro-3-morpholin-4-ylphenyl)-[3-[6-(dimethylamino)-2-methylpyrimidin-4-yl]-3-methylpiperidin-1-yl]methanone

(4-chloro-3-morpholin-4-ylphenyl)-[3-[6-(dimethylamino)-2-methylpyrimidin-4-yl]-3-methylpiperidin-1-yl]methanone (PubChem CID 110150806) has the molecular formula C24H32ClN5O2 and a molecular weight of 458.01 g/mol. Its IUPAC name is (4-chloro-3-morpholin-4-ylphenyl)-[3-[6-(dimethylamino)-2-methylpyrimidin-4-yl]-3-methylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-chloro-3-morpholin-4-ylphenyl)-[3-[6-(dimethylamino)-2-methylpyrimidin-4-yl]-3-methylpiperidin-1-yl]methanone
PubChem CID110150806
Molecular FormulaC24H32ClN5O2
Molecular Weight458.01 g/mol
Exact Mass457.22
IUPAC Name(4-chloro-3-morpholin-4-ylphenyl)-[3-[6-(dimethylamino)-2-methylpyrimidin-4-yl]-3-methylpiperidin-1-yl]methanone
SMILESCc1nc(N(C)C)cc(C2(C)CCCN(C(=O)c3ccc(Cl)c(N4CCOCC4)c3)C2)n1
InChIInChI=1S/C24H32ClN5O2/c1-17-26-21(15-22(27-17)28(3)4)24(2)8-5-9-30(16-24)23(31)18-6-7-19(25)20(14-18)29-10-12-32-13-11-29/h6-7,14-15H,5,8-13,16H2,1-4H3
InChIKeyRIURPPGIXSHRPY-UHFFFAOYSA-N
XLogP3.53
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.01
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (4-chloro-3-morpholin-4-ylphenyl)-[3-[6-(dimethylamino)-2-methylpyrimidin-4-yl]-3-methylpiperidin-1-yl]methanone with MolForge

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Related Compounds

1-(4-chloro-3-morpholin-4-ylbenzoyl)-N,N-dimethyl-3-pyridin-2-ylpiperidine-3-carboxamide
CID 175659313
[3-[6-(dimethylamino)-2-methylpyrimidin-4-yl]-3-methylpiperidin-1-yl]-[2-(2-morpholin-4-ylethoxy)phenyl]methanone
CID 110150925
[(3R)-3-[6-(dimethylamino)-2-methylpyrimidin-4-yl]-3-methylpiperidin-1-yl]-[4-methyl-3-(pyridin-2-ylmethylamino)phenyl]methanone
CID 124948684
(4-chloro-3-morpholin-4-ylphenyl)-[(3R)-3-[2-(dimethylamino)-4-pyridinyl]piperidin-1-yl]methanone
CID 124970912
[(3S)-3-methyl-3-[2-methyl-6-(methylamino)pyrimidin-4-yl]piperidin-1-yl]-[3-(2-morpholin-4-ylethoxy)phenyl]methanone
CID 124941595
1-(4-chloro-3-morpholin-4-ylphenyl)-2-methylpropan-1-one
CID 82123223
methyl 4-chloro-3-morpholin-4-ylbenzoate
CID 7148400
[(3S)-3-methyl-3-[2-methyl-6-(methylamino)pyrimidin-4-yl]piperidin-1-yl]-[4-methyl-3-(pyridin-4-ylmethylamino)phenyl]methanone
CID 124942852
4-chloro-3-morpholin-4-ylbenzohydrazide
CID 7148384
(4-chlorophenyl)-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 46267909
[3-hydroxy-3-(4-methylphenyl)pyrrolidin-1-yl]-(4-methyl-3-morpholin-4-ylphenyl)methanone
CID 46977364
[3-[4-(dimethylamino)-6-methylpyrimidin-2-yl]-3-methylpiperidin-1-yl]-[4-(3,5-dimethylphenyl)oxan-4-yl]methanone
CID 110150454

Frequently Asked Questions

What is the IUPAC name of (4-chloro-3-morpholin-4-ylphenyl)-[3-[6-(dimethylamino)-2-methylpyrimidin-4-yl]-3-methylpiperidin-1-yl]methanone?
The IUPAC name of (4-chloro-3-morpholin-4-ylphenyl)-[3-[6-(dimethylamino)-2-methylpyrimidin-4-yl]-3-methylpiperidin-1-yl]methanone (CID 110150806) is (4-chloro-3-morpholin-4-ylphenyl)-[3-[6-(dimethylamino)-2-methylpyrimidin-4-yl]-3-methylpiperidin-1-yl]methanone.
What is the SMILES notation for (4-chloro-3-morpholin-4-ylphenyl)-[3-[6-(dimethylamino)-2-methylpyrimidin-4-yl]-3-methylpiperidin-1-yl]methanone?
The canonical SMILES for (4-chloro-3-morpholin-4-ylphenyl)-[3-[6-(dimethylamino)-2-methylpyrimidin-4-yl]-3-methylpiperidin-1-yl]methanone is Cc1nc(N(C)C)cc(C2(C)CCCN(C(=O)c3ccc(Cl)c(N4CCOCC4)c3)C2)n1.
What is the InChIKey of (4-chloro-3-morpholin-4-ylphenyl)-[3-[6-(dimethylamino)-2-methylpyrimidin-4-yl]-3-methylpiperidin-1-yl]methanone?
The InChIKey is RIURPPGIXSHRPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32ClN5O2/c1-17-26-21(15-22(27-17)28(3)4)24(2)8-5-9-30(16-24)23(31)18-6-7-19(25)20(14-18)29-10-12-32-13-11-29/h6-7,14-15H,5,8-13,16H2,1-4H3.
What are the key properties of (4-chloro-3-morpholin-4-ylphenyl)-[3-[6-(dimethylamino)-2-methylpyrimidin-4-yl]-3-methylpiperidin-1-yl]methanone?
(4-chloro-3-morpholin-4-ylphenyl)-[3-[6-(dimethylamino)-2-methylpyrimidin-4-yl]-3-methylpiperidin-1-yl]methanone has a molecular weight of 458.01 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-3-morpholin-4-ylphenyl)-[3-[6-(dimethylamino)-2-methylpyrimidin-4-yl]-3-methylpiperidin-1-yl]methanone is sourced from PubChem (CID 110150806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).