N-[1-(4-tert-butylbenzoyl)piperidin-4-yl]-3-methoxybenzamide

C24H30N2O3 — CID 108550355

IUPACN-[1-(4-tert-butylbenzoyl)piperidin-4-yl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NC2CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)c1
InChIInChI=1S/C24H30N2O3/c1-24(2,3)19-10-8-17(9-11-19)23(28)26-14-12-20(13-15-26)25-22(27)18-6-5-7-21(16-18)29-4/h5-11,16,20H,12-15H2,1-4H3,(H,25,27)
InChIKeyMZGWSNHXILVVKQ-UHFFFAOYSA-N
MW394.52 g/mol
LogP4.03
Rot. Bonds4

About N-[1-(4-tert-butylbenzoyl)piperidin-4-yl]-3-methoxybenzamide

N-[1-(4-tert-butylbenzoyl)piperidin-4-yl]-3-methoxybenzamide (PubChem CID 108550355) has the molecular formula C24H30N2O3 and a molecular weight of 394.52 g/mol. Its IUPAC name is N-[1-(4-tert-butylbenzoyl)piperidin-4-yl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[1-(4-tert-butylbenzoyl)piperidin-4-yl]-3-methoxybenzamide
PubChem CID108550355
Molecular FormulaC24H30N2O3
Molecular Weight394.52 g/mol
Exact Mass394.23
IUPAC NameN-[1-(4-tert-butylbenzoyl)piperidin-4-yl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NC2CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)c1
InChIInChI=1S/C24H30N2O3/c1-24(2,3)19-10-8-17(9-11-19)23(28)26-14-12-20(13-15-26)25-22(27)18-6-5-7-21(16-18)29-4/h5-11,16,20H,12-15H2,1-4H3,(H,25,27)
InChIKeyMZGWSNHXILVVKQ-UHFFFAOYSA-N
XLogP4.03
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-(4-tert-butylbenzoyl)piperidin-4-yl]-3-methoxybenzamide 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

3-methoxy-N-[1-(4-methylbenzoyl)piperidin-4-yl]benzamide
CID 108550302
3-hydroxy-N-[1-(3-methoxybenzoyl)piperidin-4-yl]benzamide
CID 108558264
N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3-methoxybenzamide
CID 110819864
N-[1-[4-(3-methoxyphenyl)benzoyl]piperidin-4-yl]benzamide
CID 134801898
N-[1-(furan-3-carbonyl)piperidin-4-yl]-3-methoxybenzamide
CID 38022754
4-tert-butyl-N-[1-(3-methylbenzoyl)piperidin-4-yl]benzamide
CID 108554160
N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-3-methoxybenzamide
CID 110822246
N-cyclopropyl-3-methoxybenzamide
CID 900156
4-bromo-N-[1-(4-tert-butylbenzoyl)piperidin-4-yl]benzamide
CID 108550518
3-methoxy-N-[1-(pyridine-2-carbonyl)piperidin-4-yl]benzamide
CID 47029925
2-methoxy-N-[1-(3-methoxybenzoyl)piperidin-4-yl]benzamide
CID 108549181
N-[1-(2,4-dichlorobenzoyl)piperidin-4-yl]-3-methoxybenzamide
CID 108559737

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-tert-butylbenzoyl)piperidin-4-yl]-3-methoxybenzamide?
The IUPAC name of N-[1-(4-tert-butylbenzoyl)piperidin-4-yl]-3-methoxybenzamide (CID 108550355) is N-[1-(4-tert-butylbenzoyl)piperidin-4-yl]-3-methoxybenzamide.
What is the SMILES notation for N-[1-(4-tert-butylbenzoyl)piperidin-4-yl]-3-methoxybenzamide?
The canonical SMILES for N-[1-(4-tert-butylbenzoyl)piperidin-4-yl]-3-methoxybenzamide is COc1cccc(C(=O)NC2CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)c1.
What is the InChIKey of N-[1-(4-tert-butylbenzoyl)piperidin-4-yl]-3-methoxybenzamide?
The InChIKey is MZGWSNHXILVVKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O3/c1-24(2,3)19-10-8-17(9-11-19)23(28)26-14-12-20(13-15-26)25-22(27)18-6-5-7-21(16-18)29-4/h5-11,16,20H,12-15H2,1-4H3,(H,25,27).
What are the key properties of N-[1-(4-tert-butylbenzoyl)piperidin-4-yl]-3-methoxybenzamide?
N-[1-(4-tert-butylbenzoyl)piperidin-4-yl]-3-methoxybenzamide has a molecular weight of 394.52 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-tert-butylbenzoyl)piperidin-4-yl]-3-methoxybenzamide is sourced from PubChem (CID 108550355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).