4-[[[4-(2-hydroxypropan-2-yl)benzoyl]amino]methyl]piperidine-1-carboxylic acid

C17H24N2O4 — CID 90981749

IUPAC4-[[[4-(2-hydroxypropan-2-yl)benzoyl]amino]methyl]piperidine-1-carboxylic acid
SMILESCC(C)(O)c1ccc(C(=O)NCC2CCN(C(=O)O)CC2)cc1
InChIInChI=1S/C17H24N2O4/c1-17(2,23)14-5-3-13(4-6-14)15(20)18-11-12-7-9-19(10-8-12)16(21)22/h3-6,12,23H,7-11H2,1-2H3,(H,18,20)(H,21,22)
InChIKeyDBYUAVOQAZQSQM-UHFFFAOYSA-N
MW320.39 g/mol
LogP2.03
Rot. Bonds4

About 4-[[[4-(2-hydroxypropan-2-yl)benzoyl]amino]methyl]piperidine-1-carboxylic acid

4-[[[4-(2-hydroxypropan-2-yl)benzoyl]amino]methyl]piperidine-1-carboxylic acid (PubChem CID 90981749) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is 4-[[[4-(2-hydroxypropan-2-yl)benzoyl]amino]methyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[[[4-(2-hydroxypropan-2-yl)benzoyl]amino]methyl]piperidine-1-carboxylic acid
PubChem CID90981749
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Name4-[[[4-(2-hydroxypropan-2-yl)benzoyl]amino]methyl]piperidine-1-carboxylic acid
SMILESCC(C)(O)c1ccc(C(=O)NCC2CCN(C(=O)O)CC2)cc1
InChIInChI=1S/C17H24N2O4/c1-17(2,23)14-5-3-13(4-6-14)15(20)18-11-12-7-9-19(10-8-12)16(21)22/h3-6,12,23H,7-11H2,1-2H3,(H,18,20)(H,21,22)
InChIKeyDBYUAVOQAZQSQM-UHFFFAOYSA-N
XLogP2.03
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[[4-(2,2,2-trifluoro-1-hydroxyethyl)benzoyl]amino]methyl]piperidine-1-carboxylic acid
CID 91475871
4-[[[4-(1-nitrosoethyl)benzoyl]amino]methyl]piperidine-1-carboxylic acid
CID 91480032
4-[[(6-oxo-1H-pyridine-3-carbonyl)amino]methyl]piperidine-1-carboxylic acid
CID 90818078
4-[(1-methylpyrrolidin-3-yl)methylcarbamoyl]benzoic acid
CID 54926955
tert-butyl 4-[[(4-fluorobenzoyl)amino]methyl]piperidine-1-carboxylate
CID 2810466
tert-butyl N-[2-[4-[[(4-tert-butylbenzoyl)amino]methyl]piperidin-1-yl]-2-oxoethyl]carbamate
CID 108916462
N-[(1-methylpiperidin-4-yl)methyl]-4-(trifluoromethyl)benzamide
CID 16895340
tert-butyl 3-[[(4-phenylbenzoyl)amino]methyl]pyrrolidine-1-carboxylate
CID 71270947
tert-butyl N-[2-oxo-2-[4-[[[4-(trifluoromethyl)benzoyl]amino]methyl]piperidin-1-yl]ethyl]carbamate
CID 108916564
tert-butyl (3R)-3-[[(4-chlorobenzoyl)amino]methyl]pyrrolidine-1-carboxylate
CID 58748194
tert-butyl 3-[[(4-bromobenzoyl)amino]methyl]pyrrolidine-1-carboxylate
CID 78047404
N-[[1-(2-cyanoacetyl)piperidin-4-yl]methyl]-4-(trifluoromethyl)benzamide
CID 108922184

Frequently Asked Questions

What is the IUPAC name of 4-[[[4-(2-hydroxypropan-2-yl)benzoyl]amino]methyl]piperidine-1-carboxylic acid?
The IUPAC name of 4-[[[4-(2-hydroxypropan-2-yl)benzoyl]amino]methyl]piperidine-1-carboxylic acid (CID 90981749) is 4-[[[4-(2-hydroxypropan-2-yl)benzoyl]amino]methyl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[[[4-(2-hydroxypropan-2-yl)benzoyl]amino]methyl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[[[4-(2-hydroxypropan-2-yl)benzoyl]amino]methyl]piperidine-1-carboxylic acid is CC(C)(O)c1ccc(C(=O)NCC2CCN(C(=O)O)CC2)cc1.
What is the InChIKey of 4-[[[4-(2-hydroxypropan-2-yl)benzoyl]amino]methyl]piperidine-1-carboxylic acid?
The InChIKey is DBYUAVOQAZQSQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-17(2,23)14-5-3-13(4-6-14)15(20)18-11-12-7-9-19(10-8-12)16(21)22/h3-6,12,23H,7-11H2,1-2H3,(H,18,20)(H,21,22).
What are the key properties of 4-[[[4-(2-hydroxypropan-2-yl)benzoyl]amino]methyl]piperidine-1-carboxylic acid?
4-[[[4-(2-hydroxypropan-2-yl)benzoyl]amino]methyl]piperidine-1-carboxylic acid has a molecular weight of 320.39 g/mol, XLogP of 2.03, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[4-(2-hydroxypropan-2-yl)benzoyl]amino]methyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 90981749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).