(4-tert-butylphenyl)-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methanone

C20H28N4O — CID 121450338

IUPAC(4-tert-butylphenyl)-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methanone
SMILESCn1ccnc1CN1CCN(C(=O)c2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C20H28N4O/c1-20(2,3)17-7-5-16(6-8-17)19(25)24-13-11-23(12-14-24)15-18-21-9-10-22(18)4/h5-10H,11-15H2,1-4H3
InChIKeyJUYJQOVXAZPOTM-UHFFFAOYSA-N
MW340.47 g/mol
LogP2.68
Rot. Bonds3

About (4-tert-butylphenyl)-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methanone

(4-tert-butylphenyl)-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methanone (PubChem CID 121450338) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is (4-tert-butylphenyl)-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-tert-butylphenyl)-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methanone
PubChem CID121450338
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC Name(4-tert-butylphenyl)-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methanone
SMILESCn1ccnc1CN1CCN(C(=O)c2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C20H28N4O/c1-20(2,3)17-7-5-16(6-8-17)19(25)24-13-11-23(12-14-24)15-18-21-9-10-22(18)4/h5-10H,11-15H2,1-4H3
InChIKeyJUYJQOVXAZPOTM-UHFFFAOYSA-N
XLogP2.68
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-1-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]propan-1-one
CID 120872894
[4-(4-tert-butylbenzoyl)piperazin-1-yl]-(4-tert-butylphenyl)methanone
CID 1241593
(2S)-2-amino-3-methyl-1-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]butan-1-one
CID 86784240
(4-tert-butylphenyl)-[4-(2-fluoroethyl)piperazin-1-yl]methanone
CID 88873532
[3-(furan-2-yl)phenyl]-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methanone
CID 77089548
(4-tert-butylphenyl)-[4-[[1-methyl-5-(pyrrolidine-1-carbonyl)benzimidazol-2-yl]methyl]piperazin-1-yl]methanone
CID 50822440
4,5,6-trimethyl-3-[4-[(1-methylimidazol-2-yl)methyl]piperazine-1-carbonyl]-1H-pyridin-2-one
CID 91833899
[9-[(1-methylimidazol-2-yl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]-pyridin-3-ylmethanone
CID 97450387
1-[4-(4-tert-butylbenzoyl)piperazin-1-yl]ethanone
CID 78783485
[3-(1-ethylpyrazol-4-yl)phenyl]-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methanone
CID 118764619
(4-tert-butylphenyl)-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 9228417
2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-1-piperidin-1-ylethanone
CID 56885339

Frequently Asked Questions

What is the IUPAC name of (4-tert-butylphenyl)-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methanone?
The IUPAC name of (4-tert-butylphenyl)-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methanone (CID 121450338) is (4-tert-butylphenyl)-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for (4-tert-butylphenyl)-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for (4-tert-butylphenyl)-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methanone is Cn1ccnc1CN1CCN(C(=O)c2ccc(C(C)(C)C)cc2)CC1.
What is the InChIKey of (4-tert-butylphenyl)-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methanone?
The InChIKey is JUYJQOVXAZPOTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O/c1-20(2,3)17-7-5-16(6-8-17)19(25)24-13-11-23(12-14-24)15-18-21-9-10-22(18)4/h5-10H,11-15H2,1-4H3.
What are the key properties of (4-tert-butylphenyl)-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methanone?
(4-tert-butylphenyl)-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methanone has a molecular weight of 340.47 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylphenyl)-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 121450338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).