[4-(3-methylphenyl)piperazin-1-yl]-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methanone

C22H29N5O — CID 109322306

IUPAC[4-(3-methylphenyl)piperazin-1-yl]-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methanone
SMILESCc1cccc(N2CCN(C(=O)c3cc(C)nc(N4CCCCC4)n3)CC2)c1
InChIInChI=1S/C22H29N5O/c1-17-7-6-8-19(15-17)25-11-13-26(14-12-25)21(28)20-16-18(2)23-22(24-20)27-9-4-3-5-10-27/h6-8,15-16H,3-5,9-14H2,1-2H3
InChIKeyBHJXPWPCHOLUMB-UHFFFAOYSA-N
MW379.51 g/mol
LogP3.05
Rot. Bonds3

About [4-(3-methylphenyl)piperazin-1-yl]-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methanone

[4-(3-methylphenyl)piperazin-1-yl]-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methanone (PubChem CID 109322306) has the molecular formula C22H29N5O and a molecular weight of 379.51 g/mol. Its IUPAC name is [4-(3-methylphenyl)piperazin-1-yl]-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methanone.

Molecular Properties

Compound Name[4-(3-methylphenyl)piperazin-1-yl]-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methanone
PubChem CID109322306
Molecular FormulaC22H29N5O
Molecular Weight379.51 g/mol
Exact Mass379.24
IUPAC Name[4-(3-methylphenyl)piperazin-1-yl]-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methanone
SMILESCc1cccc(N2CCN(C(=O)c3cc(C)nc(N4CCCCC4)n3)CC2)c1
InChIInChI=1S/C22H29N5O/c1-17-7-6-8-19(15-17)25-11-13-26(14-12-25)21(28)20-16-18(2)23-22(24-20)27-9-4-3-5-10-27/h6-8,15-16H,3-5,9-14H2,1-2H3
InChIKeyBHJXPWPCHOLUMB-UHFFFAOYSA-N
XLogP3.05
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(azepan-1-yl)-6-methylpyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109331556
[6-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 109332039
[2-(diethylamino)-6-methylpyrimidin-4-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 109332044
[4-(3-methylphenyl)piperazin-1-yl]-[6-methyl-2-(propan-2-ylamino)pyrimidin-4-yl]methanone
CID 109319315
azepan-1-yl-[6-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-yl]methanone
CID 109332175
[6-(azepan-1-yl)pyridazin-3-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 109123948
[4-(3-methylphenyl)piperazin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone
CID 110295146
[6-methyl-2-(2-methylpropylamino)pyrimidin-4-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 109320855
[4-(3-methylphenyl)piperazin-1-yl]-[6-methyl-2-(propylamino)pyrimidin-4-yl]methanone
CID 109318924
6-methyl-N-(3-methylphenyl)-2-piperidin-1-ylpyrimidine-4-carboxamide
CID 109322331
[6-[4-(3-methylphenyl)piperazin-1-yl]pyridazin-3-yl]-piperidin-1-ylmethanone
CID 109112677
azepan-1-yl-[6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-yl]methanone
CID 109352915

Frequently Asked Questions

What is the IUPAC name of [4-(3-methylphenyl)piperazin-1-yl]-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methanone?
The IUPAC name of [4-(3-methylphenyl)piperazin-1-yl]-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methanone (CID 109322306) is [4-(3-methylphenyl)piperazin-1-yl]-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methanone.
What is the SMILES notation for [4-(3-methylphenyl)piperazin-1-yl]-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methanone?
The canonical SMILES for [4-(3-methylphenyl)piperazin-1-yl]-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methanone is Cc1cccc(N2CCN(C(=O)c3cc(C)nc(N4CCCCC4)n3)CC2)c1.
What is the InChIKey of [4-(3-methylphenyl)piperazin-1-yl]-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methanone?
The InChIKey is BHJXPWPCHOLUMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O/c1-17-7-6-8-19(15-17)25-11-13-26(14-12-25)21(28)20-16-18(2)23-22(24-20)27-9-4-3-5-10-27/h6-8,15-16H,3-5,9-14H2,1-2H3.
What are the key properties of [4-(3-methylphenyl)piperazin-1-yl]-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methanone?
[4-(3-methylphenyl)piperazin-1-yl]-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methanone has a molecular weight of 379.51 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-methylphenyl)piperazin-1-yl]-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methanone is sourced from PubChem (CID 109322306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).