4-tert-butyl-N-[2-[4-(4-methylquinolin-2-yl)piperazin-1-yl]-2-oxoethyl]benzamide

C27H32N4O2 — CID 108765041

IUPAC4-tert-butyl-N-[2-[4-(4-methylquinolin-2-yl)piperazin-1-yl]-2-oxoethyl]benzamide
SMILESCc1cc(N2CCN(C(=O)CNC(=O)c3ccc(C(C)(C)C)cc3)CC2)nc2ccccc12
InChIInChI=1S/C27H32N4O2/c1-19-17-24(29-23-8-6-5-7-22(19)23)30-13-15-31(16-14-30)25(32)18-28-26(33)20-9-11-21(12-10-20)27(2,3)4/h5-12,17H,13-16,18H2,1-4H3,(H,28,33)
InChIKeyUWMVCRMQWBCMOK-UHFFFAOYSA-N
MW444.58 g/mol
LogP3.92
Rot. Bonds4

About 4-tert-butyl-N-[2-[4-(4-methylquinolin-2-yl)piperazin-1-yl]-2-oxoethyl]benzamide

4-tert-butyl-N-[2-[4-(4-methylquinolin-2-yl)piperazin-1-yl]-2-oxoethyl]benzamide (PubChem CID 108765041) has the molecular formula C27H32N4O2 and a molecular weight of 444.58 g/mol. Its IUPAC name is 4-tert-butyl-N-[2-[4-(4-methylquinolin-2-yl)piperazin-1-yl]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[2-[4-(4-methylquinolin-2-yl)piperazin-1-yl]-2-oxoethyl]benzamide
PubChem CID108765041
Molecular FormulaC27H32N4O2
Molecular Weight444.58 g/mol
Exact Mass444.25
IUPAC Name4-tert-butyl-N-[2-[4-(4-methylquinolin-2-yl)piperazin-1-yl]-2-oxoethyl]benzamide
SMILESCc1cc(N2CCN(C(=O)CNC(=O)c3ccc(C(C)(C)C)cc3)CC2)nc2ccccc12
InChIInChI=1S/C27H32N4O2/c1-19-17-24(29-23-8-6-5-7-22(19)23)30-13-15-31(16-14-30)25(32)18-28-26(33)20-9-11-21(12-10-20)27(2,3)4/h5-12,17H,13-16,18H2,1-4H3,(H,28,33)
InChIKeyUWMVCRMQWBCMOK-UHFFFAOYSA-N
XLogP3.92
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.58
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-tert-butyl-N-[2-oxo-2-(4-quinolin-2-ylpiperazin-1-yl)ethyl]benzamide
CID 108764072
3-methyl-1-[4-(4-methylquinolin-2-yl)piperazin-1-yl]butan-1-one
CID 108765024
N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-4-tert-butylbenzamide
CID 34839400
4-(4-methylquinolin-2-yl)-N-propan-2-ylpiperazine-1-carboxamide;hydrochloride
CID 45370344
3,4,5-trimethoxy-N-[2-oxo-2-(4-quinoxalin-2-ylpiperazin-1-yl)ethyl]benzamide
CID 108763927
(4-ethoxyphenyl)-[4-(4-methylquinolin-2-yl)piperazin-1-yl]methanone
CID 108765053
4-tert-butyl-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]benzamide
CID 44522357
4-(2-methylphenoxy)-1-[4-(4-methylquinolin-2-yl)piperazin-1-yl]butan-1-one
CID 108765125
N-[2-[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]benzamide
CID 70704053
N-[6-[4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]-6-oxohexyl]benzamide
CID 108731178
N-benzyl-2-[4-(4-methylquinolin-2-yl)piperazin-1-yl]acetamide
CID 51323012
4-tert-butyl-N-(2-morpholin-4-yl-2-oxoethyl)benzamide
CID 27258300

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[2-[4-(4-methylquinolin-2-yl)piperazin-1-yl]-2-oxoethyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[2-[4-(4-methylquinolin-2-yl)piperazin-1-yl]-2-oxoethyl]benzamide (CID 108765041) is 4-tert-butyl-N-[2-[4-(4-methylquinolin-2-yl)piperazin-1-yl]-2-oxoethyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[2-[4-(4-methylquinolin-2-yl)piperazin-1-yl]-2-oxoethyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[2-[4-(4-methylquinolin-2-yl)piperazin-1-yl]-2-oxoethyl]benzamide is Cc1cc(N2CCN(C(=O)CNC(=O)c3ccc(C(C)(C)C)cc3)CC2)nc2ccccc12.
What is the InChIKey of 4-tert-butyl-N-[2-[4-(4-methylquinolin-2-yl)piperazin-1-yl]-2-oxoethyl]benzamide?
The InChIKey is UWMVCRMQWBCMOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O2/c1-19-17-24(29-23-8-6-5-7-22(19)23)30-13-15-31(16-14-30)25(32)18-28-26(33)20-9-11-21(12-10-20)27(2,3)4/h5-12,17H,13-16,18H2,1-4H3,(H,28,33).
What are the key properties of 4-tert-butyl-N-[2-[4-(4-methylquinolin-2-yl)piperazin-1-yl]-2-oxoethyl]benzamide?
4-tert-butyl-N-[2-[4-(4-methylquinolin-2-yl)piperazin-1-yl]-2-oxoethyl]benzamide has a molecular weight of 444.58 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[2-[4-(4-methylquinolin-2-yl)piperazin-1-yl]-2-oxoethyl]benzamide is sourced from PubChem (CID 108765041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).