N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide

C26H35N3O3 — CID 55787157

IUPACN-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
SMILESCOc1ccccc1C(CNC(=O)C1CCCN(C(=O)c2cc(C)cc(C)c2)C1)N(C)C
InChIInChI=1S/C26H35N3O3/c1-18-13-19(2)15-21(14-18)26(31)29-12-8-9-20(17-29)25(30)27-16-23(28(3)4)22-10-6-7-11-24(22)32-5/h6-7,10-11,13-15,20,23H,8-9,12,16-17H2,1-5H3,(H,27,30)
InChIKeyAFOLHCUBEGQNQA-UHFFFAOYSA-N
MW437.58 g/mol
LogP3.58
Rot. Bonds7

About N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide

N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide (PubChem CID 55787157) has the molecular formula C26H35N3O3 and a molecular weight of 437.58 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
PubChem CID55787157
Molecular FormulaC26H35N3O3
Molecular Weight437.58 g/mol
Exact Mass437.27
IUPAC NameN-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
SMILESCOc1ccccc1C(CNC(=O)C1CCCN(C(=O)c2cc(C)cc(C)c2)C1)N(C)C
InChIInChI=1S/C26H35N3O3/c1-18-13-19(2)15-21(14-18)26(31)29-12-8-9-20(17-29)25(30)27-16-23(28(3)4)22-10-6-7-11-24(22)32-5/h6-7,10-11,13-15,20,23H,8-9,12,16-17H2,1-5H3,(H,27,30)
InChIKeyAFOLHCUBEGQNQA-UHFFFAOYSA-N
XLogP3.58
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.58
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
CID 55787308
1-(3,5-dimethylbenzoyl)-N-[2-(N-methylanilino)ethyl]piperidine-3-carboxamide
CID 55789576
(3R)-N-[(2,5-dimethoxyphenyl)methyl]-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
CID 94029737
1-(3,5-dimethylbenzoyl)-N-[2-(methylamino)propyl]piperidine-3-carboxamide
CID 120829554
(3S)-1-(3,5-dimethylbenzoyl)-N-[(3-ethoxy-4-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 94082877
(3R)-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
CID 51959136
(3R)-1-(3,5-dimethylbenzoyl)-N-(3-phenylpropyl)piperidine-3-carboxamide
CID 94010780
1-(3,5-dimethylbenzoyl)-N-(2-morpholin-4-ylpropyl)piperidine-3-carboxamide
CID 55791695
(3R)-1-(3,5-dimethylbenzoyl)-N-[(4-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 94082808
N-[(3,5-dimethoxyphenyl)methyl]-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
CID 55792149
1-(3,5-dimethylbenzoyl)-N-[2-[(4-methoxybenzoyl)amino]ethyl]piperidine-3-carboxamide
CID 55878443
N-(2,4-dimethoxyphenyl)-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
CID 50803885

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide (CID 55787157) is N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide is COc1ccccc1C(CNC(=O)C1CCCN(C(=O)c2cc(C)cc(C)c2)C1)N(C)C.
What is the InChIKey of N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide?
The InChIKey is AFOLHCUBEGQNQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O3/c1-18-13-19(2)15-21(14-18)26(31)29-12-8-9-20(17-29)25(30)27-16-23(28(3)4)22-10-6-7-11-24(22)32-5/h6-7,10-11,13-15,20,23H,8-9,12,16-17H2,1-5H3,(H,27,30).
What are the key properties of N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide?
N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide has a molecular weight of 437.58 g/mol, XLogP of 3.58, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide is sourced from PubChem (CID 55787157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).