N-(4-carbamoylphenyl)-1-(3,4,5-trimethoxybenzoyl)piperidine-4-carboxamide

C23H27N3O6 — CID 126029026

IUPACN-(4-carbamoylphenyl)-1-(3,4,5-trimethoxybenzoyl)piperidine-4-carboxamide
SMILESCOc1cc(C(=O)N2CCC(C(=O)Nc3ccc(C(N)=O)cc3)CC2)cc(OC)c1OC
InChIInChI=1S/C23H27N3O6/c1-30-18-12-16(13-19(31-2)20(18)32-3)23(29)26-10-8-15(9-11-26)22(28)25-17-6-4-14(5-7-17)21(24)27/h4-7,12-13,15H,8-11H2,1-3H3,(H2,24,27)(H,25,28)
InChIKeyODJXICMSIDISHI-UHFFFAOYSA-N
MW441.48 g/mol
LogP2.30
Rot. Bonds7

About N-(4-carbamoylphenyl)-1-(3,4,5-trimethoxybenzoyl)piperidine-4-carboxamide

N-(4-carbamoylphenyl)-1-(3,4,5-trimethoxybenzoyl)piperidine-4-carboxamide (PubChem CID 126029026) has the molecular formula C23H27N3O6 and a molecular weight of 441.48 g/mol. Its IUPAC name is N-(4-carbamoylphenyl)-1-(3,4,5-trimethoxybenzoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-carbamoylphenyl)-1-(3,4,5-trimethoxybenzoyl)piperidine-4-carboxamide
PubChem CID126029026
Molecular FormulaC23H27N3O6
Molecular Weight441.48 g/mol
Exact Mass441.19
IUPAC NameN-(4-carbamoylphenyl)-1-(3,4,5-trimethoxybenzoyl)piperidine-4-carboxamide
SMILESCOc1cc(C(=O)N2CCC(C(=O)Nc3ccc(C(N)=O)cc3)CC2)cc(OC)c1OC
InChIInChI=1S/C23H27N3O6/c1-30-18-12-16(13-19(31-2)20(18)32-3)23(29)26-10-8-15(9-11-26)22(28)25-17-6-4-14(5-7-17)21(24)27/h4-7,12-13,15H,8-11H2,1-3H3,(H2,24,27)(H,25,28)
InChIKeyODJXICMSIDISHI-UHFFFAOYSA-N
XLogP2.30
TPSA120.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.48
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3,4-dimethoxybenzoyl)-N-(4-methylphenyl)piperidine-4-carboxamide
CID 113006178
1-(4-bromobenzoyl)-N-(3,4,5-trimethoxyphenyl)piperidine-4-carboxamide
CID 26701571
N-(3-methylsulfanylphenyl)-1-(3,4,5-trimethoxybenzoyl)piperidine-4-carboxamide
CID 126030935
methyl 4-[(4-carbamoylphenyl)carbamoyl]piperidine-1-carboxylate
CID 110754209
1-(3,4-dimethoxybenzoyl)-N-(3,4-dimethylphenyl)piperidine-4-carboxamide
CID 113006445
N-(2,6-difluorophenyl)-1-(3,4,5-trimethoxybenzoyl)piperidine-4-carboxamide
CID 126094414
1-(3,4-dimethoxybenzoyl)-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]piperidine-4-carboxamide
CID 126011029
N-(2-ethoxyphenyl)-1-(3,4,5-trimethoxybenzoyl)piperidine-4-carboxamide
CID 126021956
1-(3,5-dimethoxybenzoyl)-N-[4-(2-methoxyphenoxy)phenyl]piperidine-4-carboxamide
CID 46471892
1-[4-(4-carbamoylphenoxy)benzoyl]-N-phenylpiperidine-4-carboxamide
CID 56545504
1-(3,5-dimethoxybenzoyl)-N-(3-fluoro-4-methoxyphenyl)piperidine-4-carboxamide
CID 55797447
N-(3-chloro-4-methoxyphenyl)-1-(4-methylbenzoyl)piperidine-4-carboxamide
CID 113007389

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamoylphenyl)-1-(3,4,5-trimethoxybenzoyl)piperidine-4-carboxamide?
The IUPAC name of N-(4-carbamoylphenyl)-1-(3,4,5-trimethoxybenzoyl)piperidine-4-carboxamide (CID 126029026) is N-(4-carbamoylphenyl)-1-(3,4,5-trimethoxybenzoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(4-carbamoylphenyl)-1-(3,4,5-trimethoxybenzoyl)piperidine-4-carboxamide?
The canonical SMILES for N-(4-carbamoylphenyl)-1-(3,4,5-trimethoxybenzoyl)piperidine-4-carboxamide is COc1cc(C(=O)N2CCC(C(=O)Nc3ccc(C(N)=O)cc3)CC2)cc(OC)c1OC.
What is the InChIKey of N-(4-carbamoylphenyl)-1-(3,4,5-trimethoxybenzoyl)piperidine-4-carboxamide?
The InChIKey is ODJXICMSIDISHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O6/c1-30-18-12-16(13-19(31-2)20(18)32-3)23(29)26-10-8-15(9-11-26)22(28)25-17-6-4-14(5-7-17)21(24)27/h4-7,12-13,15H,8-11H2,1-3H3,(H2,24,27)(H,25,28).
What are the key properties of N-(4-carbamoylphenyl)-1-(3,4,5-trimethoxybenzoyl)piperidine-4-carboxamide?
N-(4-carbamoylphenyl)-1-(3,4,5-trimethoxybenzoyl)piperidine-4-carboxamide has a molecular weight of 441.48 g/mol, XLogP of 2.30, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamoylphenyl)-1-(3,4,5-trimethoxybenzoyl)piperidine-4-carboxamide is sourced from PubChem (CID 126029026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).