N-[2-[4-(2,6-dimethylphenoxy)piperidine-1-carbonyl]phenyl]-4-methoxybenzamide

C28H30N2O4 — CID 55859581

IUPACN-[2-[4-(2,6-dimethylphenoxy)piperidine-1-carbonyl]phenyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2C(=O)N2CCC(Oc3c(C)cccc3C)CC2)cc1
InChIInChI=1S/C28H30N2O4/c1-19-7-6-8-20(2)26(19)34-23-15-17-30(18-16-23)28(32)24-9-4-5-10-25(24)29-27(31)21-11-13-22(33-3)14-12-21/h4-14,23H,15-18H2,1-3H3,(H,29,31)
InChIKeyUFQHTVJTBURKQY-UHFFFAOYSA-N
MW458.56 g/mol
LogP5.25
Rot. Bonds6

About N-[2-[4-(2,6-dimethylphenoxy)piperidine-1-carbonyl]phenyl]-4-methoxybenzamide

N-[2-[4-(2,6-dimethylphenoxy)piperidine-1-carbonyl]phenyl]-4-methoxybenzamide (PubChem CID 55859581) has the molecular formula C28H30N2O4 and a molecular weight of 458.56 g/mol. Its IUPAC name is N-[2-[4-(2,6-dimethylphenoxy)piperidine-1-carbonyl]phenyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[2-[4-(2,6-dimethylphenoxy)piperidine-1-carbonyl]phenyl]-4-methoxybenzamide
PubChem CID55859581
Molecular FormulaC28H30N2O4
Molecular Weight458.56 g/mol
Exact Mass458.22
IUPAC NameN-[2-[4-(2,6-dimethylphenoxy)piperidine-1-carbonyl]phenyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2C(=O)N2CCC(Oc3c(C)cccc3C)CC2)cc1
InChIInChI=1S/C28H30N2O4/c1-19-7-6-8-20(2)26(19)34-23-15-17-30(18-16-23)28(32)24-9-4-5-10-25(24)29-27(31)21-11-13-22(33-3)14-12-21/h4-14,23H,15-18H2,1-3H3,(H,29,31)
InChIKeyUFQHTVJTBURKQY-UHFFFAOYSA-N
XLogP5.25
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.56
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-N-[2-(piperazine-1-carbonyl)phenyl]benzamide
CID 119403655
4-methoxy-N-[2-[4-(methylaminomethyl)piperidine-1-carbonyl]phenyl]benzamide;hydrochloride
CID 119546723
4-methoxy-N-[2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]benzamide
CID 55376450
N-[2-(3-anilinopyrrolidine-1-carbonyl)phenyl]-4-methoxybenzamide
CID 56504081
4-methoxy-N-[2-[3-(methylamino)piperidine-1-carbonyl]phenyl]benzamide
CID 119493451
N-[2-[4-(2-hydroxyethyl)piperazine-1-carbonyl]phenyl]-4-methoxybenzamide
CID 2193293
4-methoxy-N-[2-[4-[2-oxo-2-(propan-2-ylamino)acetyl]piperazine-1-carbonyl]phenyl]benzamide
CID 55628552
4-methyl-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide
CID 566959
N-[2-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]phenyl]-4-methoxybenzamide
CID 120659632
2-[(4-methoxybenzoyl)amino]benzoic acid
CID 721421
4-methoxy-N-[2-[4-(pyridin-4-ylmethyl)piperazine-1-carbonyl]phenyl]benzamide
CID 35858455
N-[2-(4-methylpiperidine-1-carbonyl)phenyl]-4-prop-2-enoxybenzamide
CID 4945241

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2,6-dimethylphenoxy)piperidine-1-carbonyl]phenyl]-4-methoxybenzamide?
The IUPAC name of N-[2-[4-(2,6-dimethylphenoxy)piperidine-1-carbonyl]phenyl]-4-methoxybenzamide (CID 55859581) is N-[2-[4-(2,6-dimethylphenoxy)piperidine-1-carbonyl]phenyl]-4-methoxybenzamide.
What is the SMILES notation for N-[2-[4-(2,6-dimethylphenoxy)piperidine-1-carbonyl]phenyl]-4-methoxybenzamide?
The canonical SMILES for N-[2-[4-(2,6-dimethylphenoxy)piperidine-1-carbonyl]phenyl]-4-methoxybenzamide is COc1ccc(C(=O)Nc2ccccc2C(=O)N2CCC(Oc3c(C)cccc3C)CC2)cc1.
What is the InChIKey of N-[2-[4-(2,6-dimethylphenoxy)piperidine-1-carbonyl]phenyl]-4-methoxybenzamide?
The InChIKey is UFQHTVJTBURKQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N2O4/c1-19-7-6-8-20(2)26(19)34-23-15-17-30(18-16-23)28(32)24-9-4-5-10-25(24)29-27(31)21-11-13-22(33-3)14-12-21/h4-14,23H,15-18H2,1-3H3,(H,29,31).
What are the key properties of N-[2-[4-(2,6-dimethylphenoxy)piperidine-1-carbonyl]phenyl]-4-methoxybenzamide?
N-[2-[4-(2,6-dimethylphenoxy)piperidine-1-carbonyl]phenyl]-4-methoxybenzamide has a molecular weight of 458.56 g/mol, XLogP of 5.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2,6-dimethylphenoxy)piperidine-1-carbonyl]phenyl]-4-methoxybenzamide is sourced from PubChem (CID 55859581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).