(4-methoxy-3-propan-2-ylphenyl)-(4-methylpiperazin-1-yl)methanone

C16H24N2O2 — CID 58015998

IUPAC(4-methoxy-3-propan-2-ylphenyl)-(4-methylpiperazin-1-yl)methanone
SMILESCOc1ccc(C(=O)N2CCN(C)CC2)cc1C(C)C
InChIInChI=1S/C16H24N2O2/c1-12(2)14-11-13(5-6-15(14)20-4)16(19)18-9-7-17(3)8-10-18/h5-6,11-12H,7-10H2,1-4H3
InChIKeyTUCJRRAXXDDYEI-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.21
Rot. Bonds3

About (4-methoxy-3-propan-2-ylphenyl)-(4-methylpiperazin-1-yl)methanone

(4-methoxy-3-propan-2-ylphenyl)-(4-methylpiperazin-1-yl)methanone (PubChem CID 58015998) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is (4-methoxy-3-propan-2-ylphenyl)-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(4-methoxy-3-propan-2-ylphenyl)-(4-methylpiperazin-1-yl)methanone
PubChem CID58015998
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name(4-methoxy-3-propan-2-ylphenyl)-(4-methylpiperazin-1-yl)methanone
SMILESCOc1ccc(C(=O)N2CCN(C)CC2)cc1C(C)C
InChIInChI=1S/C16H24N2O2/c1-12(2)14-11-13(5-6-15(14)20-4)16(19)18-9-7-17(3)8-10-18/h5-6,11-12H,7-10H2,1-4H3
InChIKeyTUCJRRAXXDDYEI-UHFFFAOYSA-N
XLogP2.21
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(4-methoxy-3-propan-2-ylbenzoyl)piperazin-1-yl]ethanone
CID 110761401
methyl 4-(4-methoxy-3-propan-2-ylbenzoyl)piperazine-1-carboxylate
CID 110803260
N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]acetamide
CID 95178992
[3-(difluoromethyl)-3-hydroxyazetidin-1-yl]-(4-methoxy-3-propan-2-ylphenyl)methanone
CID 154762450
[3-methoxy-4-(2-methylpropoxy)phenyl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 112791438
4-hydroxy-3-methoxybenzoic acid;(4-hydroxy-3-methoxyphenyl)-(4-methylpiperazin-1-yl)methanone
CID 158397827
2-methoxy-N,N-dimethyl-5-(4-methylpiperazine-1-carbonyl)benzenesulfonamide
CID 17027735
N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]propanamide
CID 95178995
3,4-dimethoxy-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]benzamide
CID 94646312
(3,4-dimethoxyphenyl)-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]methanone
CID 9109670
[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-phenylmethanone
CID 1074740
1-[4-(4-methoxy-3-methylbenzoyl)piperazin-1-yl]ethanone
CID 110761022

Frequently Asked Questions

What is the IUPAC name of (4-methoxy-3-propan-2-ylphenyl)-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of (4-methoxy-3-propan-2-ylphenyl)-(4-methylpiperazin-1-yl)methanone (CID 58015998) is (4-methoxy-3-propan-2-ylphenyl)-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for (4-methoxy-3-propan-2-ylphenyl)-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for (4-methoxy-3-propan-2-ylphenyl)-(4-methylpiperazin-1-yl)methanone is COc1ccc(C(=O)N2CCN(C)CC2)cc1C(C)C.
What is the InChIKey of (4-methoxy-3-propan-2-ylphenyl)-(4-methylpiperazin-1-yl)methanone?
The InChIKey is TUCJRRAXXDDYEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-12(2)14-11-13(5-6-15(14)20-4)16(19)18-9-7-17(3)8-10-18/h5-6,11-12H,7-10H2,1-4H3.
What are the key properties of (4-methoxy-3-propan-2-ylphenyl)-(4-methylpiperazin-1-yl)methanone?
(4-methoxy-3-propan-2-ylphenyl)-(4-methylpiperazin-1-yl)methanone has a molecular weight of 276.38 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-3-propan-2-ylphenyl)-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 58015998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).