1-(3,5-dimethoxybenzoyl)-N-[2-(N-methylanilino)ethyl]piperidine-4-carboxamide

C24H31N3O4 — CID 55719644

IUPAC1-(3,5-dimethoxybenzoyl)-N-[2-(N-methylanilino)ethyl]piperidine-4-carboxamide
SMILESCOc1cc(OC)cc(C(=O)N2CCC(C(=O)NCCN(C)c3ccccc3)CC2)c1
InChIInChI=1S/C24H31N3O4/c1-26(20-7-5-4-6-8-20)14-11-25-23(28)18-9-12-27(13-10-18)24(29)19-15-21(30-2)17-22(16-19)31-3/h4-8,15-18H,9-14H2,1-3H3,(H,25,28)
InChIKeyZCAOIVHFMOGGNZ-UHFFFAOYSA-N
MW425.53 g/mol
LogP2.81
Rot. Bonds8

About 1-(3,5-dimethoxybenzoyl)-N-[2-(N-methylanilino)ethyl]piperidine-4-carboxamide

1-(3,5-dimethoxybenzoyl)-N-[2-(N-methylanilino)ethyl]piperidine-4-carboxamide (PubChem CID 55719644) has the molecular formula C24H31N3O4 and a molecular weight of 425.53 g/mol. Its IUPAC name is 1-(3,5-dimethoxybenzoyl)-N-[2-(N-methylanilino)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3,5-dimethoxybenzoyl)-N-[2-(N-methylanilino)ethyl]piperidine-4-carboxamide
PubChem CID55719644
Molecular FormulaC24H31N3O4
Molecular Weight425.53 g/mol
Exact Mass425.23
IUPAC Name1-(3,5-dimethoxybenzoyl)-N-[2-(N-methylanilino)ethyl]piperidine-4-carboxamide
SMILESCOc1cc(OC)cc(C(=O)N2CCC(C(=O)NCCN(C)c3ccccc3)CC2)c1
InChIInChI=1S/C24H31N3O4/c1-26(20-7-5-4-6-8-20)14-11-25-23(28)18-9-12-27(13-10-18)24(29)19-15-21(30-2)17-22(16-19)31-3/h4-8,15-18H,9-14H2,1-3H3,(H,25,28)
InChIKeyZCAOIVHFMOGGNZ-UHFFFAOYSA-N
XLogP2.81
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(furan-3-carbonyl)-N-[2-(N-methylanilino)ethyl]piperidine-4-carboxamide
CID 35751247
1-(3,5-dimethoxybenzoyl)-N-[2-(ethylamino)ethyl]piperidine-4-carboxamide
CID 119507447
1-(3,5-dimethoxybenzoyl)-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 46471462
1-(3,5-dimethoxybenzoyl)-N-[[4-[(dimethylamino)methyl]phenyl]methyl]piperidine-4-carboxamide
CID 55719260
1-(3,5-dimethylbenzoyl)-N-[2-(N-methylanilino)ethyl]piperidine-3-carboxamide
CID 55789576
1-(3,5-dimethoxybenzoyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide
CID 55719801
N-butyl-1-(3-methoxybenzoyl)piperidine-4-carboxamide
CID 113002679
1-(3,5-dimethoxybenzoyl)-N-(2-ethylphenyl)piperidine-4-carboxamide
CID 113006606
N-[2-(4-methoxy-N-methylanilino)ethyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 53278322
1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(N-methylanilino)ethyl]piperidine-4-carboxamide
CID 38149414
N-cyclopropyl-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide
CID 113002527
N-(2-aminophenyl)-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide
CID 119422420

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethoxybenzoyl)-N-[2-(N-methylanilino)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-(3,5-dimethoxybenzoyl)-N-[2-(N-methylanilino)ethyl]piperidine-4-carboxamide (CID 55719644) is 1-(3,5-dimethoxybenzoyl)-N-[2-(N-methylanilino)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(3,5-dimethoxybenzoyl)-N-[2-(N-methylanilino)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(3,5-dimethoxybenzoyl)-N-[2-(N-methylanilino)ethyl]piperidine-4-carboxamide is COc1cc(OC)cc(C(=O)N2CCC(C(=O)NCCN(C)c3ccccc3)CC2)c1.
What is the InChIKey of 1-(3,5-dimethoxybenzoyl)-N-[2-(N-methylanilino)ethyl]piperidine-4-carboxamide?
The InChIKey is ZCAOIVHFMOGGNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O4/c1-26(20-7-5-4-6-8-20)14-11-25-23(28)18-9-12-27(13-10-18)24(29)19-15-21(30-2)17-22(16-19)31-3/h4-8,15-18H,9-14H2,1-3H3,(H,25,28).
What are the key properties of 1-(3,5-dimethoxybenzoyl)-N-[2-(N-methylanilino)ethyl]piperidine-4-carboxamide?
1-(3,5-dimethoxybenzoyl)-N-[2-(N-methylanilino)ethyl]piperidine-4-carboxamide has a molecular weight of 425.53 g/mol, XLogP of 2.81, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethoxybenzoyl)-N-[2-(N-methylanilino)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 55719644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).