[4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(3,4,5-trimethoxyphenyl)pyrimidin-5-yl]-piperidin-1-ylmethanone

C30H37N5O5 — CID 42672046

IUPAC[4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(3,4,5-trimethoxyphenyl)pyrimidin-5-yl]-piperidin-1-ylmethanone
SMILESCOc1ccccc1N1CCN(c2nc(-c3cc(OC)c(OC)c(OC)c3)ncc2C(=O)N2CCCCC2)CC1
InChIInChI=1S/C30H37N5O5/c1-37-24-11-7-6-10-23(24)33-14-16-34(17-15-33)29-22(30(36)35-12-8-5-9-13-35)20-31-28(32-29)21-18-25(38-2)27(40-4)26(19-21)39-3/h6-7,10-11,18-20H,5,8-9,12-17H2,1-4H3
InChIKeyVWOUWPYNUGVQHR-UHFFFAOYSA-N
MW547.66 g/mol
LogP4.13
Rot. Bonds8

About [4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(3,4,5-trimethoxyphenyl)pyrimidin-5-yl]-piperidin-1-ylmethanone

[4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(3,4,5-trimethoxyphenyl)pyrimidin-5-yl]-piperidin-1-ylmethanone (PubChem CID 42672046) has the molecular formula C30H37N5O5 and a molecular weight of 547.66 g/mol. Its IUPAC name is [4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(3,4,5-trimethoxyphenyl)pyrimidin-5-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(3,4,5-trimethoxyphenyl)pyrimidin-5-yl]-piperidin-1-ylmethanone
PubChem CID42672046
Molecular FormulaC30H37N5O5
Molecular Weight547.66 g/mol
Exact Mass547.28
IUPAC Name[4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(3,4,5-trimethoxyphenyl)pyrimidin-5-yl]-piperidin-1-ylmethanone
SMILESCOc1ccccc1N1CCN(c2nc(-c3cc(OC)c(OC)c(OC)c3)ncc2C(=O)N2CCCCC2)CC1
InChIInChI=1S/C30H37N5O5/c1-37-24-11-7-6-10-23(24)33-14-16-34(17-15-33)29-22(30(36)35-12-8-5-9-13-35)20-31-28(32-29)21-18-25(38-2)27(40-4)26(19-21)39-3/h6-7,10-11,18-20H,5,8-9,12-17H2,1-4H3
InChIKeyVWOUWPYNUGVQHR-UHFFFAOYSA-N
XLogP4.13
TPSA89.49 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500547.66
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

morpholin-4-yl-[4-pyrrolidin-1-yl-2-(3,4,5-trimethoxyphenyl)pyrimidin-5-yl]methanone
CID 42670236
N-butan-2-yl-4-[4-(2-fluorophenyl)piperazin-1-yl]-2-(3,4,5-trimethoxyphenyl)pyrimidine-5-carboxamide
CID 42671328
N-(2-methylpropyl)-4-piperidin-1-yl-2-(3,4,5-trimethoxyphenyl)pyrimidine-5-carboxamide
CID 42670243
[2-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidin-5-yl]-pyrrolidin-1-ylmethanone
CID 109249260
2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-(pyrrolidine-1-carbonyl)-1H-pyrimidin-6-one
CID 42682738
2-(3,4-dimethoxyphenyl)-4-piperidin-1-ylpyrimidine-5-carboxylic acid
CID 53214933
2-(3,4-dimethoxyphenyl)-4-pyrrolidin-1-ylpyrimidine-5-carboxylic acid
CID 53214897
[4-(2-fluorophenyl)piperazin-1-yl]-[1-[4-(2-methoxyphenyl)piperazin-1-yl]isoquinolin-4-yl]methanone
CID 22330805
[2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 4116089
[4-(azepan-1-yl)-2-pyridinyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 109216068
pyrrolidin-1-yl-[2-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]methanone
CID 5133126
[4-(2-methoxyphenyl)piperazin-1-yl]-[4-(3-pyrrolidin-1-ylpyrazin-2-yl)phenyl]methanone
CID 50848278

Frequently Asked Questions

What is the IUPAC name of [4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(3,4,5-trimethoxyphenyl)pyrimidin-5-yl]-piperidin-1-ylmethanone?
The IUPAC name of [4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(3,4,5-trimethoxyphenyl)pyrimidin-5-yl]-piperidin-1-ylmethanone (CID 42672046) is [4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(3,4,5-trimethoxyphenyl)pyrimidin-5-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(3,4,5-trimethoxyphenyl)pyrimidin-5-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(3,4,5-trimethoxyphenyl)pyrimidin-5-yl]-piperidin-1-ylmethanone is COc1ccccc1N1CCN(c2nc(-c3cc(OC)c(OC)c(OC)c3)ncc2C(=O)N2CCCCC2)CC1.
What is the InChIKey of [4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(3,4,5-trimethoxyphenyl)pyrimidin-5-yl]-piperidin-1-ylmethanone?
The InChIKey is VWOUWPYNUGVQHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37N5O5/c1-37-24-11-7-6-10-23(24)33-14-16-34(17-15-33)29-22(30(36)35-12-8-5-9-13-35)20-31-28(32-29)21-18-25(38-2)27(40-4)26(19-21)39-3/h6-7,10-11,18-20H,5,8-9,12-17H2,1-4H3.
What are the key properties of [4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(3,4,5-trimethoxyphenyl)pyrimidin-5-yl]-piperidin-1-ylmethanone?
[4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(3,4,5-trimethoxyphenyl)pyrimidin-5-yl]-piperidin-1-ylmethanone has a molecular weight of 547.66 g/mol, XLogP of 4.13, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(3,4,5-trimethoxyphenyl)pyrimidin-5-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 42672046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).