1-[(4-hydroxy-2,3-dihydro-1H-inden-2-yl)carbamoyl]piperidine-4-carboxylic acid

C16H20N2O4 — CID 122011811

IUPAC1-[(4-hydroxy-2,3-dihydro-1H-inden-2-yl)carbamoyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)NC2Cc3cccc(O)c3C2)CC1
InChIInChI=1S/C16H20N2O4/c19-14-3-1-2-11-8-12(9-13(11)14)17-16(22)18-6-4-10(5-7-18)15(20)21/h1-3,10,12,19H,4-9H2,(H,17,22)(H,20,21)
InChIKeyBTGSSWZYNGGOIT-UHFFFAOYSA-N
MW304.35 g/mol
LogP1.37
Rot. Bonds2

About 1-[(4-hydroxy-2,3-dihydro-1H-inden-2-yl)carbamoyl]piperidine-4-carboxylic acid

1-[(4-hydroxy-2,3-dihydro-1H-inden-2-yl)carbamoyl]piperidine-4-carboxylic acid (PubChem CID 122011811) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is 1-[(4-hydroxy-2,3-dihydro-1H-inden-2-yl)carbamoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(4-hydroxy-2,3-dihydro-1H-inden-2-yl)carbamoyl]piperidine-4-carboxylic acid
PubChem CID122011811
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC Name1-[(4-hydroxy-2,3-dihydro-1H-inden-2-yl)carbamoyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)NC2Cc3cccc(O)c3C2)CC1
InChIInChI=1S/C16H20N2O4/c19-14-3-1-2-11-8-12(9-13(11)14)17-16(22)18-6-4-10(5-7-18)15(20)21/h1-3,10,12,19H,4-9H2,(H,17,22)(H,20,21)
InChIKeyBTGSSWZYNGGOIT-UHFFFAOYSA-N
XLogP1.37
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,4S)-1-[(4-hydroxy-2,3-dihydro-1H-inden-2-yl)carbamoyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 122011821
N-(2,3-dihydro-1H-inden-2-yl)-4-methylpiperidine-1-carboxamide
CID 104694688
1-(oxan-4-ylcarbamoyl)piperidine-4-carboxylic acid
CID 43610485
N-cyclopropyl-4-(2-hydroxyphenyl)piperazine-1-carboxamide
CID 47127245
4-(5,7-dihydrobenzo[d][2]benzazepine-6-carbonylamino)cyclohexane-1-carboxylic acid
CID 122024905
4-[(4-carbamoylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 61193762
1-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-ylcarbamoyl)piperidine-4-carboxylic acid
CID 122003861
1-(3-oxo-3-phenylpropanoyl)piperidine-4-carboxylic acid
CID 110465914
1-[[(1R,2S)-2-phenylcyclopentyl]carbamoyl]piperidine-4-carboxylic acid
CID 122012024
1-[(2-phenylcyclopentyl)carbamoyl]piperidine-4-carboxylic acid
CID 122001822
4-[(5-methoxycarbonyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 122024527
4-(4-hydroxyphenyl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazine-1-carboxamide
CID 122568385

Frequently Asked Questions

What is the IUPAC name of 1-[(4-hydroxy-2,3-dihydro-1H-inden-2-yl)carbamoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[(4-hydroxy-2,3-dihydro-1H-inden-2-yl)carbamoyl]piperidine-4-carboxylic acid (CID 122011811) is 1-[(4-hydroxy-2,3-dihydro-1H-inden-2-yl)carbamoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(4-hydroxy-2,3-dihydro-1H-inden-2-yl)carbamoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[(4-hydroxy-2,3-dihydro-1H-inden-2-yl)carbamoyl]piperidine-4-carboxylic acid is O=C(O)C1CCN(C(=O)NC2Cc3cccc(O)c3C2)CC1.
What is the InChIKey of 1-[(4-hydroxy-2,3-dihydro-1H-inden-2-yl)carbamoyl]piperidine-4-carboxylic acid?
The InChIKey is BTGSSWZYNGGOIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4/c19-14-3-1-2-11-8-12(9-13(11)14)17-16(22)18-6-4-10(5-7-18)15(20)21/h1-3,10,12,19H,4-9H2,(H,17,22)(H,20,21).
What are the key properties of 1-[(4-hydroxy-2,3-dihydro-1H-inden-2-yl)carbamoyl]piperidine-4-carboxylic acid?
1-[(4-hydroxy-2,3-dihydro-1H-inden-2-yl)carbamoyl]piperidine-4-carboxylic acid has a molecular weight of 304.35 g/mol, XLogP of 1.37, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-hydroxy-2,3-dihydro-1H-inden-2-yl)carbamoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 122011811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).