4-(4-formylpiperidin-1-yl)-N-(2,2,4,4-tetramethylcyclobutyl)benzamide

C21H30N2O2 — CID 177325924

IUPAC4-(4-formylpiperidin-1-yl)-N-(2,2,4,4-tetramethylcyclobutyl)benzamide
SMILESCC1(C)CC(C)(C)C1NC(=O)c1ccc(N2CCC(C=O)CC2)cc1
InChIInChI=1S/C21H30N2O2/c1-20(2)14-21(3,4)19(20)22-18(25)16-5-7-17(8-6-16)23-11-9-15(13-24)10-12-23/h5-8,13,15,19H,9-12,14H2,1-4H3,(H,22,25)
InChIKeyMPVJDYFUGNISFL-UHFFFAOYSA-N
MW342.48 g/mol
LogP3.66
Rot. Bonds4

About 4-(4-formylpiperidin-1-yl)-N-(2,2,4,4-tetramethylcyclobutyl)benzamide

4-(4-formylpiperidin-1-yl)-N-(2,2,4,4-tetramethylcyclobutyl)benzamide (PubChem CID 177325924) has the molecular formula C21H30N2O2 and a molecular weight of 342.48 g/mol. Its IUPAC name is 4-(4-formylpiperidin-1-yl)-N-(2,2,4,4-tetramethylcyclobutyl)benzamide.

Molecular Properties

Compound Name4-(4-formylpiperidin-1-yl)-N-(2,2,4,4-tetramethylcyclobutyl)benzamide
PubChem CID177325924
Molecular FormulaC21H30N2O2
Molecular Weight342.48 g/mol
Exact Mass342.23
IUPAC Name4-(4-formylpiperidin-1-yl)-N-(2,2,4,4-tetramethylcyclobutyl)benzamide
SMILESCC1(C)CC(C)(C)C1NC(=O)c1ccc(N2CCC(C=O)CC2)cc1
InChIInChI=1S/C21H30N2O2/c1-20(2)14-21(3,4)19(20)22-18(25)16-5-7-17(8-6-16)23-11-9-15(13-24)10-12-23/h5-8,13,15,19H,9-12,14H2,1-4H3,(H,22,25)
InChIKeyMPVJDYFUGNISFL-UHFFFAOYSA-N
XLogP3.66
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 4-(4-formylpiperidin-1-yl)-N-(2,2,4,4-tetramethylcyclobutyl)benzamide 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

4-(4-formylpiperidin-1-yl)-N-[1-(2-methylpropoxy)ethoxy]benzamide
CID 59620182
4-[3-(3-pentylpiperidin-1-yl)azetidin-1-yl]-N-(2,2,4,4-tetramethylcyclobutyl)benzamide
CID 176984301
N-cyclopropyl-4-piperidin-1-ylbenzamide
CID 21368345
4-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxopyrrolo[3,4-f]isoindol-6-yl]piperidin-1-yl]-N-(2,2,4,4-tetramethylcyclobutyl)benzamide
CID 170396610
N-cyclopropyl-4-(4-methoxypiperidin-1-yl)benzamide
CID 91813653
2-[4-(hydroxymethyl)piperidin-1-yl]-N-(2,2,4,4-tetramethylcyclobutyl)pyrimidine-5-carboxamide
CID 176983424
N-(2,4-dioxocyclohexyl)-4-piperazin-1-ylbenzamide
CID 159330945
N-cyclopentyl-4-[4-(hydroxymethyl)piperidin-1-yl]benzamide
CID 166847333
1-[4-(methylsulfanylmethyl)phenyl]piperidine-4-carbaldehyde
CID 83967239
4-(dimethylamino)-N-(1-phenylpiperidin-4-yl)benzamide
CID 110745886
N-[3-(4-cyano-3-methoxyphenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-(4-methylpiperidin-1-yl)benzamide
CID 170683290
4-[(2,2,3,3-tetramethylcyclopropyl)carbamoyl]benzoic acid
CID 79356507

Frequently Asked Questions

What is the IUPAC name of 4-(4-formylpiperidin-1-yl)-N-(2,2,4,4-tetramethylcyclobutyl)benzamide?
The IUPAC name of 4-(4-formylpiperidin-1-yl)-N-(2,2,4,4-tetramethylcyclobutyl)benzamide (CID 177325924) is 4-(4-formylpiperidin-1-yl)-N-(2,2,4,4-tetramethylcyclobutyl)benzamide.
What is the SMILES notation for 4-(4-formylpiperidin-1-yl)-N-(2,2,4,4-tetramethylcyclobutyl)benzamide?
The canonical SMILES for 4-(4-formylpiperidin-1-yl)-N-(2,2,4,4-tetramethylcyclobutyl)benzamide is CC1(C)CC(C)(C)C1NC(=O)c1ccc(N2CCC(C=O)CC2)cc1.
What is the InChIKey of 4-(4-formylpiperidin-1-yl)-N-(2,2,4,4-tetramethylcyclobutyl)benzamide?
The InChIKey is MPVJDYFUGNISFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O2/c1-20(2)14-21(3,4)19(20)22-18(25)16-5-7-17(8-6-16)23-11-9-15(13-24)10-12-23/h5-8,13,15,19H,9-12,14H2,1-4H3,(H,22,25).
What are the key properties of 4-(4-formylpiperidin-1-yl)-N-(2,2,4,4-tetramethylcyclobutyl)benzamide?
4-(4-formylpiperidin-1-yl)-N-(2,2,4,4-tetramethylcyclobutyl)benzamide has a molecular weight of 342.48 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-formylpiperidin-1-yl)-N-(2,2,4,4-tetramethylcyclobutyl)benzamide is sourced from PubChem (CID 177325924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).