4-[2-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)amino]acetyl]piperidine-1-carboxylic acid

C23H32N2O4 — CID 141296160

IUPAC4-[2-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)amino]acetyl]piperidine-1-carboxylic acid
SMILESCC1(C)CCC(C)(C)c2cc(C(=O)NCC(=O)C3CCN(C(=O)O)CC3)ccc21
InChIInChI=1S/C23H32N2O4/c1-22(2)9-10-23(3,4)18-13-16(5-6-17(18)22)20(27)24-14-19(26)15-7-11-25(12-8-15)21(28)29/h5-6,13,15H,7-12,14H2,1-4H3,(H,24,27)(H,28,29)
InChIKeyPHVDFJCVEMQLQU-UHFFFAOYSA-N
MW400.52 g/mol
LogP3.72
Rot. Bonds4

About 4-[2-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)amino]acetyl]piperidine-1-carboxylic acid

4-[2-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)amino]acetyl]piperidine-1-carboxylic acid (PubChem CID 141296160) has the molecular formula C23H32N2O4 and a molecular weight of 400.52 g/mol. Its IUPAC name is 4-[2-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)amino]acetyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[2-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)amino]acetyl]piperidine-1-carboxylic acid
PubChem CID141296160
Molecular FormulaC23H32N2O4
Molecular Weight400.52 g/mol
Exact Mass400.24
IUPAC Name4-[2-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)amino]acetyl]piperidine-1-carboxylic acid
SMILESCC1(C)CCC(C)(C)c2cc(C(=O)NCC(=O)C3CCN(C(=O)O)CC3)ccc21
InChIInChI=1S/C23H32N2O4/c1-22(2)9-10-23(3,4)18-13-16(5-6-17(18)22)20(27)24-14-19(26)15-7-11-25(12-8-15)21(28)29/h5-6,13,15H,7-12,14H2,1-4H3,(H,24,27)(H,28,29)
InChIKeyPHVDFJCVEMQLQU-UHFFFAOYSA-N
XLogP3.72
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.52
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[2-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)amino]acetyl]piperidine-1-carboxylic acid with MolForge

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Related Compounds

N-(2,4-dihydroxyphenyl)-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carboxamide
CID 166326596
2-[4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)amino]oxan-4-yl]acetic acid
CID 119214844
4-O-[[amino-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methylidene]amino] 1-O-tert-butyl piperidine-1,4-dicarboxylate
CID 123193350
(3-piperazin-1-ylpyrrolidin-1-yl)-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methanone;hydrochloride
CID 120994357
ethane;methyl 2-[[2-[[4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbamoyl]benzoyl]amino]acetyl]amino]acetate
CID 143799383
methyl 4-[2-oxo-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)acetyl]benzoate
CID 14726493
1-[2-[(4-tert-butylbenzoyl)amino]acetyl]pyrrolidine-3-carboxylic acid
CID 120533814
methyl 1-(2-benzamidoacetyl)pyrrolidine-3-carboxylate
CID 84579845
ethyl 4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)amino]benzoate
CID 3086620
1-[[(3,4-dimethylbenzoyl)amino]methyl]piperidine-4-carboxylic acid
CID 82163375
4-[propyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]benzoic acid
CID 10690215
4-[[[4-(2-hydroxypropan-2-yl)benzoyl]amino]methyl]piperidine-1-carboxylic acid
CID 90981749

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)amino]acetyl]piperidine-1-carboxylic acid?
The IUPAC name of 4-[2-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)amino]acetyl]piperidine-1-carboxylic acid (CID 141296160) is 4-[2-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)amino]acetyl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[2-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)amino]acetyl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[2-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)amino]acetyl]piperidine-1-carboxylic acid is CC1(C)CCC(C)(C)c2cc(C(=O)NCC(=O)C3CCN(C(=O)O)CC3)ccc21.
What is the InChIKey of 4-[2-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)amino]acetyl]piperidine-1-carboxylic acid?
The InChIKey is PHVDFJCVEMQLQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O4/c1-22(2)9-10-23(3,4)18-13-16(5-6-17(18)22)20(27)24-14-19(26)15-7-11-25(12-8-15)21(28)29/h5-6,13,15H,7-12,14H2,1-4H3,(H,24,27)(H,28,29).
What are the key properties of 4-[2-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)amino]acetyl]piperidine-1-carboxylic acid?
4-[2-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)amino]acetyl]piperidine-1-carboxylic acid has a molecular weight of 400.52 g/mol, XLogP of 3.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)amino]acetyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 141296160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).