1-(2,3-dihydro-1H-indene-2-carbonyl)-4-methylpiperidine-2-carboxylic acid

C17H21NO3 — CID 106892485

IUPAC1-(2,3-dihydro-1H-indene-2-carbonyl)-4-methylpiperidine-2-carboxylic acid
SMILESCC1CCN(C(=O)C2Cc3ccccc3C2)C(C(=O)O)C1
InChIInChI=1S/C17H21NO3/c1-11-6-7-18(15(8-11)17(20)21)16(19)14-9-12-4-2-3-5-13(12)10-14/h2-5,11,14-15H,6-10H2,1H3,(H,20,21)
InChIKeyWTWCUZGDDXHHST-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.11
Rot. Bonds2

About 1-(2,3-dihydro-1H-indene-2-carbonyl)-4-methylpiperidine-2-carboxylic acid

1-(2,3-dihydro-1H-indene-2-carbonyl)-4-methylpiperidine-2-carboxylic acid (PubChem CID 106892485) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-indene-2-carbonyl)-4-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-indene-2-carbonyl)-4-methylpiperidine-2-carboxylic acid
PubChem CID106892485
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name1-(2,3-dihydro-1H-indene-2-carbonyl)-4-methylpiperidine-2-carboxylic acid
SMILESCC1CCN(C(=O)C2Cc3ccccc3C2)C(C(=O)O)C1
InChIInChI=1S/C17H21NO3/c1-11-6-7-18(15(8-11)17(20)21)16(19)14-9-12-4-2-3-5-13(12)10-14/h2-5,11,14-15H,6-10H2,1H3,(H,20,21)
InChIKeyWTWCUZGDDXHHST-UHFFFAOYSA-N
XLogP2.11
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1-(2,3-dihydro-1H-indene-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 106892375
1-(2,3-dihydro-1H-indene-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 106892310
(2S)-1-(1,2,3,4-tetrahydronaphthalene-2-carbonyl)piperidine-2-carboxylic acid
CID 107126335
4-(1,2,3,4-tetrahydronaphthalene-2-carbonyl)thiomorpholine-3-carboxylic acid
CID 107126369
1-[2-[2-(aminomethyl)phenyl]acetyl]-4-methylpiperidine-2-carboxylic acid
CID 115867427
3-methyl-1,2,4,5-tetrahydro-3-benzazepine-4-carboxylic acid
CID 83882436
1-(imidazo[1,2-a]pyridine-2-carbonyl)-4-methylpiperidine-2-carboxylic acid
CID 114421885
4-methyl-1-[(2R)-piperidine-2-carbonyl]piperidine-2-carboxylic acid
CID 104921848
4-methyl-1-[methyl(pyridin-3-yl)carbamoyl]piperidine-2-carboxylic acid
CID 114425608
1-(3-chlorobenzoyl)-4-methylpiperidine-2-carboxylic acid
CID 114421672
2,3-dihydro-1H-inden-2-yl-(4-hydroxypiperidin-1-yl)methanone
CID 112531224
1-[(2-chloro-6-methylphenyl)carbamoyl]-4-methylpiperidine-2-carboxylic acid
CID 114425691

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-indene-2-carbonyl)-4-methylpiperidine-2-carboxylic acid?
The IUPAC name of 1-(2,3-dihydro-1H-indene-2-carbonyl)-4-methylpiperidine-2-carboxylic acid (CID 106892485) is 1-(2,3-dihydro-1H-indene-2-carbonyl)-4-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-(2,3-dihydro-1H-indene-2-carbonyl)-4-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-(2,3-dihydro-1H-indene-2-carbonyl)-4-methylpiperidine-2-carboxylic acid is CC1CCN(C(=O)C2Cc3ccccc3C2)C(C(=O)O)C1.
What is the InChIKey of 1-(2,3-dihydro-1H-indene-2-carbonyl)-4-methylpiperidine-2-carboxylic acid?
The InChIKey is WTWCUZGDDXHHST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-11-6-7-18(15(8-11)17(20)21)16(19)14-9-12-4-2-3-5-13(12)10-14/h2-5,11,14-15H,6-10H2,1H3,(H,20,21).
What are the key properties of 1-(2,3-dihydro-1H-indene-2-carbonyl)-4-methylpiperidine-2-carboxylic acid?
1-(2,3-dihydro-1H-indene-2-carbonyl)-4-methylpiperidine-2-carboxylic acid has a molecular weight of 287.36 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-indene-2-carbonyl)-4-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 106892485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).