N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-3-methoxybenzamide

C22H26N2O5 — CID 55639792

IUPACN-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2cc(OC)c(OC)cc2C(=O)N2CCCCC2)c1
InChIInChI=1S/C22H26N2O5/c1-27-16-9-7-8-15(12-16)21(25)23-18-14-20(29-3)19(28-2)13-17(18)22(26)24-10-5-4-6-11-24/h7-9,12-14H,4-6,10-11H2,1-3H3,(H,23,25)
InChIKeyZJHVBCXLCCKJAI-UHFFFAOYSA-N
MW398.46 g/mol
LogP3.59
Rot. Bonds6

About N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-3-methoxybenzamide

N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-3-methoxybenzamide (PubChem CID 55639792) has the molecular formula C22H26N2O5 and a molecular weight of 398.46 g/mol. Its IUPAC name is N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-3-methoxybenzamide
PubChem CID55639792
Molecular FormulaC22H26N2O5
Molecular Weight398.46 g/mol
Exact Mass398.18
IUPAC NameN-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2cc(OC)c(OC)cc2C(=O)N2CCCCC2)c1
InChIInChI=1S/C22H26N2O5/c1-27-16-9-7-8-15(12-16)21(25)23-18-14-20(29-3)19(28-2)13-17(18)22(26)24-10-5-4-6-11-24/h7-9,12-14H,4-6,10-11H2,1-3H3,(H,23,25)
InChIKeyZJHVBCXLCCKJAI-UHFFFAOYSA-N
XLogP3.59
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4,5-dimethoxy-2-(pyrrolidine-1-carbonyl)phenyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 55639740
N-[2-(1,4-diazepane-1-carbonyl)-4,5-dimethoxyphenyl]benzamide
CID 119417744
N-[4,5-dimethoxy-2-(pyrrolidine-1-carbonyl)phenyl]-4-(trifluoromethoxy)benzamide
CID 55639888
azepan-1-yl-(3-methoxyphenyl)methanone
CID 669437
N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-3-methylthiophene-2-carboxamide
CID 55639759
3-(azepane-1-carbonyl)-N-(2-methoxyphenyl)benzamide
CID 109056708
N-[4,5-dimethoxy-2-(piperazine-1-carbonyl)phenyl]benzamide;hydrochloride
CID 119403063
N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-2-methyl-3-nitrobenzamide
CID 55639880
N-[4,5-dimethoxy-2-(pyrrolidine-1-carbonyl)phenyl]-4-propan-2-ylsulfonylbenzamide
CID 55761058
5-amino-N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-2-methylbenzamide
CID 120620884
N-[4,5-dimethoxy-2-(pyrrolidine-1-carbonyl)phenyl]-2-(3-methylphenoxy)acetamide
CID 55639621
N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 55639644

Frequently Asked Questions

What is the IUPAC name of N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-3-methoxybenzamide?
The IUPAC name of N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-3-methoxybenzamide (CID 55639792) is N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-3-methoxybenzamide.
What is the SMILES notation for N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-3-methoxybenzamide?
The canonical SMILES for N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-3-methoxybenzamide is COc1cccc(C(=O)Nc2cc(OC)c(OC)cc2C(=O)N2CCCCC2)c1.
What is the InChIKey of N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-3-methoxybenzamide?
The InChIKey is ZJHVBCXLCCKJAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O5/c1-27-16-9-7-8-15(12-16)21(25)23-18-14-20(29-3)19(28-2)13-17(18)22(26)24-10-5-4-6-11-24/h7-9,12-14H,4-6,10-11H2,1-3H3,(H,23,25).
What are the key properties of N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-3-methoxybenzamide?
N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-3-methoxybenzamide has a molecular weight of 398.46 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-3-methoxybenzamide is sourced from PubChem (CID 55639792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).