[1-[4-(4-methoxyanilino)pyrimidin-2-yl]piperidin-3-yl]-(3-methylpiperidin-1-yl)methanone

C23H31N5O2 — CID 134798553

IUPAC[1-[4-(4-methoxyanilino)pyrimidin-2-yl]piperidin-3-yl]-(3-methylpiperidin-1-yl)methanone
SMILESCOc1ccc(Nc2ccnc(N3CCCC(C(=O)N4CCCC(C)C4)C3)n2)cc1
InChIInChI=1S/C23H31N5O2/c1-17-5-3-13-27(15-17)22(29)18-6-4-14-28(16-18)23-24-12-11-21(26-23)25-19-7-9-20(30-2)10-8-19/h7-12,17-18H,3-6,13-16H2,1-2H3,(H,24,25,26)
InChIKeySUDPMGKFFHXOLF-UHFFFAOYSA-N
MW409.53 g/mol
LogP3.70
Rot. Bonds5

About [1-[4-(4-methoxyanilino)pyrimidin-2-yl]piperidin-3-yl]-(3-methylpiperidin-1-yl)methanone

[1-[4-(4-methoxyanilino)pyrimidin-2-yl]piperidin-3-yl]-(3-methylpiperidin-1-yl)methanone (PubChem CID 134798553) has the molecular formula C23H31N5O2 and a molecular weight of 409.53 g/mol. Its IUPAC name is [1-[4-(4-methoxyanilino)pyrimidin-2-yl]piperidin-3-yl]-(3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[1-[4-(4-methoxyanilino)pyrimidin-2-yl]piperidin-3-yl]-(3-methylpiperidin-1-yl)methanone
PubChem CID134798553
Molecular FormulaC23H31N5O2
Molecular Weight409.53 g/mol
Exact Mass409.25
IUPAC Name[1-[4-(4-methoxyanilino)pyrimidin-2-yl]piperidin-3-yl]-(3-methylpiperidin-1-yl)methanone
SMILESCOc1ccc(Nc2ccnc(N3CCCC(C(=O)N4CCCC(C)C4)C3)n2)cc1
InChIInChI=1S/C23H31N5O2/c1-17-5-3-13-27(15-17)22(29)18-6-4-14-28(16-18)23-24-12-11-21(26-23)25-19-7-9-20(30-2)10-8-19/h7-12,17-18H,3-6,13-16H2,1-2H3,(H,24,25,26)
InChIKeySUDPMGKFFHXOLF-UHFFFAOYSA-N
XLogP3.70
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[1-[4-(4-methylanilino)pyrimidin-2-yl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 134799885
1-[4-(4-methoxyanilino)pyrimidin-2-yl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 134799744
N-[(2-chlorophenyl)methyl]-1-[4-(4-methoxyanilino)pyrimidin-2-yl]piperidine-3-carboxamide
CID 134797699
2-(3-methylpiperidin-1-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidin-4-amine
CID 112901130
N-(2-methoxyethyl)-1-[4-(4-methylanilino)pyrimidin-2-yl]piperidine-3-carboxamide
CID 134801627
[4-(4-methoxyphenyl)piperazin-1-yl]-(1-pyrimidin-2-ylpiperidin-3-yl)methanone
CID 3223330
1-[4-(4-methylanilino)pyrimidin-2-yl]-N-(2-phenylethyl)piperidine-3-carboxamide
CID 134802244
(3S)-1-[6-(4-methoxyanilino)pyrimidin-4-yl]piperidine-3-carboxylic acid
CID 99975929
N-(4-methoxyphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112901738
methyl 4-[[3-(3-methylpiperidin-1-yl)-1,2,4-triazin-5-yl]amino]benzoate
CID 112960765
cyclohexyl-[4-[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]piperazin-1-yl]methanone
CID 27477448
(3,5-dimethylpiperidin-1-yl)-(1-pyrimidin-2-ylpiperidin-3-yl)methanone
CID 42952772

Frequently Asked Questions

What is the IUPAC name of [1-[4-(4-methoxyanilino)pyrimidin-2-yl]piperidin-3-yl]-(3-methylpiperidin-1-yl)methanone?
The IUPAC name of [1-[4-(4-methoxyanilino)pyrimidin-2-yl]piperidin-3-yl]-(3-methylpiperidin-1-yl)methanone (CID 134798553) is [1-[4-(4-methoxyanilino)pyrimidin-2-yl]piperidin-3-yl]-(3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [1-[4-(4-methoxyanilino)pyrimidin-2-yl]piperidin-3-yl]-(3-methylpiperidin-1-yl)methanone?
The canonical SMILES for [1-[4-(4-methoxyanilino)pyrimidin-2-yl]piperidin-3-yl]-(3-methylpiperidin-1-yl)methanone is COc1ccc(Nc2ccnc(N3CCCC(C(=O)N4CCCC(C)C4)C3)n2)cc1.
What is the InChIKey of [1-[4-(4-methoxyanilino)pyrimidin-2-yl]piperidin-3-yl]-(3-methylpiperidin-1-yl)methanone?
The InChIKey is SUDPMGKFFHXOLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5O2/c1-17-5-3-13-27(15-17)22(29)18-6-4-14-28(16-18)23-24-12-11-21(26-23)25-19-7-9-20(30-2)10-8-19/h7-12,17-18H,3-6,13-16H2,1-2H3,(H,24,25,26).
What are the key properties of [1-[4-(4-methoxyanilino)pyrimidin-2-yl]piperidin-3-yl]-(3-methylpiperidin-1-yl)methanone?
[1-[4-(4-methoxyanilino)pyrimidin-2-yl]piperidin-3-yl]-(3-methylpiperidin-1-yl)methanone has a molecular weight of 409.53 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(4-methoxyanilino)pyrimidin-2-yl]piperidin-3-yl]-(3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 134798553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).