[1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidin-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone

C26H30N6O2 — CID 90519878

IUPAC[1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidin-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESCOc1ccc(-c2cc(N3CCCC(C(=O)N4CCN(c5ccccn5)CC4)C3)ncn2)cc1
InChIInChI=1S/C26H30N6O2/c1-34-22-9-7-20(8-10-22)23-17-25(29-19-28-23)32-12-4-5-21(18-32)26(33)31-15-13-30(14-16-31)24-6-2-3-11-27-24/h2-3,6-11,17,19,21H,4-5,12-16,18H2,1H3
InChIKeyAVIDMTNPLIFTLW-UHFFFAOYSA-N
MW458.57 g/mol
LogP3.11
Rot. Bonds5

About [1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidin-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone

[1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidin-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone (PubChem CID 90519878) has the molecular formula C26H30N6O2 and a molecular weight of 458.57 g/mol. Its IUPAC name is [1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidin-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidin-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
PubChem CID90519878
Molecular FormulaC26H30N6O2
Molecular Weight458.57 g/mol
Exact Mass458.24
IUPAC Name[1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidin-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESCOc1ccc(-c2cc(N3CCCC(C(=O)N4CCN(c5ccccn5)CC4)C3)ncn2)cc1
InChIInChI=1S/C26H30N6O2/c1-34-22-9-7-20(8-10-22)23-17-25(29-19-28-23)32-12-4-5-21(18-32)26(33)31-15-13-30(14-16-31)24-6-2-3-11-27-24/h2-3,6-11,17,19,21H,4-5,12-16,18H2,1H3
InChIKeyAVIDMTNPLIFTLW-UHFFFAOYSA-N
XLogP3.11
TPSA74.69 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.57
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 90519445
N-cyclopropyl-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 90519842
N-(4-anilinophenyl)-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 90519895
cyclopropyl-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 90516549
[4-(4-methoxyphenyl)piperazin-1-yl]-(1-pyrimidin-2-ylpiperidin-3-yl)methanone
CID 3223330
[4-(3-chlorophenyl)piperazin-1-yl]-[1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidin-4-yl]methanone
CID 90519448
1-[6-(4-methoxyphenyl)pyrimidin-4-yl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]piperidine-3-carboxamide
CID 90519749
methyl (3S)-1-pyridin-2-ylpiperidine-3-carboxylate
CID 133326705
cyclopropyl-[4-[6-(4-ethoxyphenyl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 121106815
cyclopropyl-[4-[1-(6-phenylpyrimidin-4-yl)azetidine-3-carbonyl]piperazin-1-yl]methanone
CID 121018196
[(3R)-1-(2,3-dimethylpyrido[2,3-b]pyrazin-7-yl)piperidin-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 95100960
[1-(2,3-dimethylpyrido[2,3-b]pyrazin-7-yl)piperidin-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 53165999

Frequently Asked Questions

What is the IUPAC name of [1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidin-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidin-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone (CID 90519878) is [1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidin-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidin-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidin-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone is COc1ccc(-c2cc(N3CCCC(C(=O)N4CCN(c5ccccn5)CC4)C3)ncn2)cc1.
What is the InChIKey of [1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidin-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The InChIKey is AVIDMTNPLIFTLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6O2/c1-34-22-9-7-20(8-10-22)23-17-25(29-19-28-23)32-12-4-5-21(18-32)26(33)31-15-13-30(14-16-31)24-6-2-3-11-27-24/h2-3,6-11,17,19,21H,4-5,12-16,18H2,1H3.
What are the key properties of [1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidin-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
[1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidin-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone has a molecular weight of 458.57 g/mol, XLogP of 3.11, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidin-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 90519878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).