4-tert-butyl-2-methoxy-N-[3-(1-methylpiperidin-2-yl)phenyl]benzamide

C24H32N2O2 — CID 12971739

IUPAC4-tert-butyl-2-methoxy-N-[3-(1-methylpiperidin-2-yl)phenyl]benzamide
SMILESCOc1cc(C(C)(C)C)ccc1C(=O)Nc1cccc(C2CCCCN2C)c1
InChIInChI=1S/C24H32N2O2/c1-24(2,3)18-12-13-20(22(16-18)28-5)23(27)25-19-10-8-9-17(15-19)21-11-6-7-14-26(21)4/h8-10,12-13,15-16,21H,6-7,11,14H2,1-5H3,(H,25,27)
InChIKeyQKUFAQHLAMEBAD-UHFFFAOYSA-N
MW380.53 g/mol
LogP5.40
Rot. Bonds4

About 4-tert-butyl-2-methoxy-N-[3-(1-methylpiperidin-2-yl)phenyl]benzamide

4-tert-butyl-2-methoxy-N-[3-(1-methylpiperidin-2-yl)phenyl]benzamide (PubChem CID 12971739) has the molecular formula C24H32N2O2 and a molecular weight of 380.53 g/mol. Its IUPAC name is 4-tert-butyl-2-methoxy-N-[3-(1-methylpiperidin-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-2-methoxy-N-[3-(1-methylpiperidin-2-yl)phenyl]benzamide
PubChem CID12971739
Molecular FormulaC24H32N2O2
Molecular Weight380.53 g/mol
Exact Mass380.25
IUPAC Name4-tert-butyl-2-methoxy-N-[3-(1-methylpiperidin-2-yl)phenyl]benzamide
SMILESCOc1cc(C(C)(C)C)ccc1C(=O)Nc1cccc(C2CCCCN2C)c1
InChIInChI=1S/C24H32N2O2/c1-24(2,3)18-12-13-20(22(16-18)28-5)23(27)25-19-10-8-9-17(15-19)21-11-6-7-14-26(21)4/h8-10,12-13,15-16,21H,6-7,11,14H2,1-5H3,(H,25,27)
InChIKeyQKUFAQHLAMEBAD-UHFFFAOYSA-N
XLogP5.40
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.53
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-tert-butyl-2-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide
CID 10066617
N-[3-(cyclopentanecarbonylamino)phenyl]-2-methoxybenzamide
CID 46880084
4-tert-butyl-2-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)benzamide;4-tert-butyl-2-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)benzamide
CID 160843612
N-[3-(cyclohexanecarbonylamino)phenyl]-2-methoxybenzamide
CID 46880083
4-tert-butyl-2-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)benzamide;hydrochloride
CID 18687473
(3S)-N-(3-tert-butylphenyl)-1-(3-methoxy-2-methylbenzoyl)piperidine-3-carboxamide
CID 126604020
methyl 2-(bromomethyl)-4-[(2S)-1-methylpiperidin-2-yl]benzoate
CID 171548811
N-(3-methoxyphenyl)-2-(3-methylphenyl)azepane-1-carboxamide
CID 53013061
4-methoxy-N-[3-(5-oxopyrrolidin-2-yl)phenyl]pyridine-3-carboxamide
CID 167991293
2-methoxy-N-[4-[(2S)-2-pyridin-3-ylpiperidin-1-yl]sulfonylphenyl]benzamide
CID 40607024
2,4-dimethoxy-N-[3-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 7687662
N-[4-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carbonyl]-3-methoxyphenyl]-2-methoxybenzamide
CID 58707598

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-methoxy-N-[3-(1-methylpiperidin-2-yl)phenyl]benzamide?
The IUPAC name of 4-tert-butyl-2-methoxy-N-[3-(1-methylpiperidin-2-yl)phenyl]benzamide (CID 12971739) is 4-tert-butyl-2-methoxy-N-[3-(1-methylpiperidin-2-yl)phenyl]benzamide.
What is the SMILES notation for 4-tert-butyl-2-methoxy-N-[3-(1-methylpiperidin-2-yl)phenyl]benzamide?
The canonical SMILES for 4-tert-butyl-2-methoxy-N-[3-(1-methylpiperidin-2-yl)phenyl]benzamide is COc1cc(C(C)(C)C)ccc1C(=O)Nc1cccc(C2CCCCN2C)c1.
What is the InChIKey of 4-tert-butyl-2-methoxy-N-[3-(1-methylpiperidin-2-yl)phenyl]benzamide?
The InChIKey is QKUFAQHLAMEBAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O2/c1-24(2,3)18-12-13-20(22(16-18)28-5)23(27)25-19-10-8-9-17(15-19)21-11-6-7-14-26(21)4/h8-10,12-13,15-16,21H,6-7,11,14H2,1-5H3,(H,25,27).
What are the key properties of 4-tert-butyl-2-methoxy-N-[3-(1-methylpiperidin-2-yl)phenyl]benzamide?
4-tert-butyl-2-methoxy-N-[3-(1-methylpiperidin-2-yl)phenyl]benzamide has a molecular weight of 380.53 g/mol, XLogP of 5.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-methoxy-N-[3-(1-methylpiperidin-2-yl)phenyl]benzamide is sourced from PubChem (CID 12971739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).