2,6-dimethoxy-N-[4-[1-[4-[(2-methylpropan-2-yl)oxy]benzoyl]piperidin-4-yl]phenyl]benzamide

C31H36N2O5 — CID 171685751

IUPAC2,6-dimethoxy-N-[4-[1-[4-[(2-methylpropan-2-yl)oxy]benzoyl]piperidin-4-yl]phenyl]benzamide
SMILESCOc1cccc(OC)c1C(=O)Nc1ccc(C2CCN(C(=O)c3ccc(OC(C)(C)C)cc3)CC2)cc1
InChIInChI=1S/C31H36N2O5/c1-31(2,3)38-25-15-11-23(12-16-25)30(35)33-19-17-22(18-20-33)21-9-13-24(14-10-21)32-29(34)28-26(36-4)7-6-8-27(28)37-5/h6-16,22H,17-20H2,1-5H3,(H,32,34)
InChIKeyAFHZGRRPXMIAMR-UHFFFAOYSA-N
MW516.64 g/mol
LogP6.15
Rot. Bonds7

About 2,6-dimethoxy-N-[4-[1-[4-[(2-methylpropan-2-yl)oxy]benzoyl]piperidin-4-yl]phenyl]benzamide

2,6-dimethoxy-N-[4-[1-[4-[(2-methylpropan-2-yl)oxy]benzoyl]piperidin-4-yl]phenyl]benzamide (PubChem CID 171685751) has the molecular formula C31H36N2O5 and a molecular weight of 516.64 g/mol. Its IUPAC name is 2,6-dimethoxy-N-[4-[1-[4-[(2-methylpropan-2-yl)oxy]benzoyl]piperidin-4-yl]phenyl]benzamide.

Molecular Properties

Compound Name2,6-dimethoxy-N-[4-[1-[4-[(2-methylpropan-2-yl)oxy]benzoyl]piperidin-4-yl]phenyl]benzamide
PubChem CID171685751
Molecular FormulaC31H36N2O5
Molecular Weight516.64 g/mol
Exact Mass516.26
IUPAC Name2,6-dimethoxy-N-[4-[1-[4-[(2-methylpropan-2-yl)oxy]benzoyl]piperidin-4-yl]phenyl]benzamide
SMILESCOc1cccc(OC)c1C(=O)Nc1ccc(C2CCN(C(=O)c3ccc(OC(C)(C)C)cc3)CC2)cc1
InChIInChI=1S/C31H36N2O5/c1-31(2,3)38-25-15-11-23(12-16-25)30(35)33-19-17-22(18-20-33)21-9-13-24(14-10-21)32-29(34)28-26(36-4)7-6-8-27(28)37-5/h6-16,22H,17-20H2,1-5H3,(H,32,34)
InChIKeyAFHZGRRPXMIAMR-UHFFFAOYSA-N
XLogP6.15
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.64
LogP ≤ 56.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]phenyl]-3-fluoro-2-nitrobenzamide
CID 171684890
2-fluoro-6-methoxy-N-[4-(1-prop-2-enoylpiperidin-4-yl)phenyl]benzamide
CID 172889479
2,6-dimethoxy-N-[4-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]benzamide
CID 23095359
2-(4-chloro-2-methoxyphenyl)-N-[4-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]phenyl]acetamide
CID 171681053
2,6-dimethoxy-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]benzamide
CID 99970957
(2,6-dimethoxyphenyl)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methanone
CID 141016567
N-[4-[1-[4-(cyclopropylmethoxy)benzoyl]piperidin-4-yl]phenyl]-3-methylsulfonylbenzamide
CID 171685436
N-[4-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]phenyl]-7-fluoro-2H-indazole-3-carboxamide
CID 171685415
2-chloro-6-methoxy-N-[4-[1-(2-methyl-3,4-dihydro-1H-isoquinoline-3-carbonyl)piperidin-4-yl]phenyl]benzamide
CID 171681200
N-(4-tert-butylphenyl)-1-(4-methoxybenzoyl)piperidine-4-carboxamide
CID 113006982
5-[1-(4-fluorobenzoyl)piperidin-4-yl]-N-(4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 50816334
N-(4-carbamoylphenyl)-2,6-dimethoxybenzamide
CID 4126051

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-N-[4-[1-[4-[(2-methylpropan-2-yl)oxy]benzoyl]piperidin-4-yl]phenyl]benzamide?
The IUPAC name of 2,6-dimethoxy-N-[4-[1-[4-[(2-methylpropan-2-yl)oxy]benzoyl]piperidin-4-yl]phenyl]benzamide (CID 171685751) is 2,6-dimethoxy-N-[4-[1-[4-[(2-methylpropan-2-yl)oxy]benzoyl]piperidin-4-yl]phenyl]benzamide.
What is the SMILES notation for 2,6-dimethoxy-N-[4-[1-[4-[(2-methylpropan-2-yl)oxy]benzoyl]piperidin-4-yl]phenyl]benzamide?
The canonical SMILES for 2,6-dimethoxy-N-[4-[1-[4-[(2-methylpropan-2-yl)oxy]benzoyl]piperidin-4-yl]phenyl]benzamide is COc1cccc(OC)c1C(=O)Nc1ccc(C2CCN(C(=O)c3ccc(OC(C)(C)C)cc3)CC2)cc1.
What is the InChIKey of 2,6-dimethoxy-N-[4-[1-[4-[(2-methylpropan-2-yl)oxy]benzoyl]piperidin-4-yl]phenyl]benzamide?
The InChIKey is AFHZGRRPXMIAMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36N2O5/c1-31(2,3)38-25-15-11-23(12-16-25)30(35)33-19-17-22(18-20-33)21-9-13-24(14-10-21)32-29(34)28-26(36-4)7-6-8-27(28)37-5/h6-16,22H,17-20H2,1-5H3,(H,32,34).
What are the key properties of 2,6-dimethoxy-N-[4-[1-[4-[(2-methylpropan-2-yl)oxy]benzoyl]piperidin-4-yl]phenyl]benzamide?
2,6-dimethoxy-N-[4-[1-[4-[(2-methylpropan-2-yl)oxy]benzoyl]piperidin-4-yl]phenyl]benzamide has a molecular weight of 516.64 g/mol, XLogP of 6.15, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-N-[4-[1-[4-[(2-methylpropan-2-yl)oxy]benzoyl]piperidin-4-yl]phenyl]benzamide is sourced from PubChem (CID 171685751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).