4-[benzoyl(tert-butyl)amino]piperidine-1-carboxylic acid

C17H24N2O3 — CID 175226509

IUPAC4-[benzoyl(tert-butyl)amino]piperidine-1-carboxylic acid
SMILESCC(C)(C)N(C(=O)c1ccccc1)C1CCN(C(=O)O)CC1
InChIInChI=1S/C17H24N2O3/c1-17(2,3)19(15(20)13-7-5-4-6-8-13)14-9-11-18(12-10-14)16(21)22/h4-8,14H,9-12H2,1-3H3,(H,21,22)
InChIKeyIOTHWDKNKJAEHE-UHFFFAOYSA-N
MW304.39 g/mol
LogP3.07
Rot. Bonds2

About 4-[benzoyl(tert-butyl)amino]piperidine-1-carboxylic acid

4-[benzoyl(tert-butyl)amino]piperidine-1-carboxylic acid (PubChem CID 175226509) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is 4-[benzoyl(tert-butyl)amino]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[benzoyl(tert-butyl)amino]piperidine-1-carboxylic acid
PubChem CID175226509
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name4-[benzoyl(tert-butyl)amino]piperidine-1-carboxylic acid
SMILESCC(C)(C)N(C(=O)c1ccccc1)C1CCN(C(=O)O)CC1
InChIInChI=1S/C17H24N2O3/c1-17(2,3)19(15(20)13-7-5-4-6-8-13)14-9-11-18(12-10-14)16(21)22/h4-8,14H,9-12H2,1-3H3,(H,21,22)
InChIKeyIOTHWDKNKJAEHE-UHFFFAOYSA-N
XLogP3.07
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[benzoyl(tert-butyl)amino]piperidine-1-carboxylic acid 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-[(1-benzoylpiperidin-4-yl)-propylcarbamoyl]benzoic acid
CID 119183312
4-(2-bromo-N-methylanilino)piperidine-1-carboxylic acid
CID 174643908
(2S)-2-[benzoyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]-3-phenylpropanoic acid
CID 11316930
4-(3-phenylpropyl)piperidine-1-carboxylic acid
CID 67759674
N-(1-benzoylpiperidin-4-yl)-N-methylacetamide
CID 166180751
[4-(dimethylamino)piperidin-1-yl]-phenylmethanone;ethane;methanamine
CID 54098461
[(3S)-3-[(1-tert-butylazetidin-3-yl)-methylamino]pyrrolidin-1-yl]-phenylmethanone
CID 141333616
N-bromo-N-tert-butylbenzamide
CID 141466989
4-[N-methyl-4-(trifluoromethyl)anilino]piperidine-1-carboxylic acid
CID 146380644
tert-butyl N-(1-benzoylpyrrolidin-3-yl)-N-methylcarbamate
CID 71862110
tert-butyl(piperidin-4-yl)carbamic acid;piperidine-1-carboxylic acid
CID 160959788
acetic acid;N-tert-butyl-N-hydroxybenzamide
CID 162308139

Frequently Asked Questions

What is the IUPAC name of 4-[benzoyl(tert-butyl)amino]piperidine-1-carboxylic acid?
The IUPAC name of 4-[benzoyl(tert-butyl)amino]piperidine-1-carboxylic acid (CID 175226509) is 4-[benzoyl(tert-butyl)amino]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[benzoyl(tert-butyl)amino]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[benzoyl(tert-butyl)amino]piperidine-1-carboxylic acid is CC(C)(C)N(C(=O)c1ccccc1)C1CCN(C(=O)O)CC1.
What is the InChIKey of 4-[benzoyl(tert-butyl)amino]piperidine-1-carboxylic acid?
The InChIKey is IOTHWDKNKJAEHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-17(2,3)19(15(20)13-7-5-4-6-8-13)14-9-11-18(12-10-14)16(21)22/h4-8,14H,9-12H2,1-3H3,(H,21,22).
What are the key properties of 4-[benzoyl(tert-butyl)amino]piperidine-1-carboxylic acid?
4-[benzoyl(tert-butyl)amino]piperidine-1-carboxylic acid has a molecular weight of 304.39 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[benzoyl(tert-butyl)amino]piperidine-1-carboxylic acid is sourced from PubChem (CID 175226509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).