methyl 1-(2,3-dihydro-1H-indene-2-carbonyl)piperidine-3-carboxylate

C17H21NO3 — CID 112531649

IUPACmethyl 1-(2,3-dihydro-1H-indene-2-carbonyl)piperidine-3-carboxylate
SMILESCOC(=O)C1CCCN(C(=O)C2Cc3ccccc3C2)C1
InChIInChI=1S/C17H21NO3/c1-21-17(20)14-7-4-8-18(11-14)16(19)15-9-12-5-2-3-6-13(12)10-15/h2-3,5-6,14-15H,4,7-11H2,1H3
InChIKeyCZDDOEBVBJVTDS-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.81
Rot. Bonds2

About methyl 1-(2,3-dihydro-1H-indene-2-carbonyl)piperidine-3-carboxylate

methyl 1-(2,3-dihydro-1H-indene-2-carbonyl)piperidine-3-carboxylate (PubChem CID 112531649) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is methyl 1-(2,3-dihydro-1H-indene-2-carbonyl)piperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2,3-dihydro-1H-indene-2-carbonyl)piperidine-3-carboxylate
PubChem CID112531649
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Namemethyl 1-(2,3-dihydro-1H-indene-2-carbonyl)piperidine-3-carboxylate
SMILESCOC(=O)C1CCCN(C(=O)C2Cc3ccccc3C2)C1
InChIInChI=1S/C17H21NO3/c1-21-17(20)14-7-4-8-18(11-14)16(19)15-9-12-5-2-3-6-13(12)10-15/h2-3,5-6,14-15H,4,7-11H2,1H3
InChIKeyCZDDOEBVBJVTDS-UHFFFAOYSA-N
XLogP1.81
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dihydro-1H-inden-2-yl-(3-hydroxypiperidin-1-yl)methanone
CID 112530917
[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 3039575
methyl 1-(oxane-4-carbonyl)piperidine-3-carboxylate
CID 78919120
[3-(methylamino)piperidin-1-yl]-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone
CID 107125909
methyl 1-[2-(2-methoxyphenoxy)acetyl]piperidine-3-carboxylate
CID 108731344
2,3-dihydro-1H-inden-2-yl-[3-(1-hydroxycyclopropyl)piperidin-1-yl]methanone
CID 138381348
2,3-dihydro-1H-inden-2-yl-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 106703940
methyl 1-(azepane-1-carbonyl)piperidine-3-carboxylate
CID 113330700
methyl 1-[2-(2-methylphenyl)acetyl]piperidine-3-carboxylate
CID 78919146
methyl 1-[2-(2,6-dichlorophenyl)acetyl]piperidine-3-carboxylate
CID 78919018
methyl 1-[(Z)-2,3-diphenylprop-2-enoyl]piperidine-3-carboxylate
CID 108754898
azepan-1-yl-[1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]piperidin-3-yl]methanone
CID 45244406

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2,3-dihydro-1H-indene-2-carbonyl)piperidine-3-carboxylate?
The IUPAC name of methyl 1-(2,3-dihydro-1H-indene-2-carbonyl)piperidine-3-carboxylate (CID 112531649) is methyl 1-(2,3-dihydro-1H-indene-2-carbonyl)piperidine-3-carboxylate.
What is the SMILES notation for methyl 1-(2,3-dihydro-1H-indene-2-carbonyl)piperidine-3-carboxylate?
The canonical SMILES for methyl 1-(2,3-dihydro-1H-indene-2-carbonyl)piperidine-3-carboxylate is COC(=O)C1CCCN(C(=O)C2Cc3ccccc3C2)C1.
What is the InChIKey of methyl 1-(2,3-dihydro-1H-indene-2-carbonyl)piperidine-3-carboxylate?
The InChIKey is CZDDOEBVBJVTDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-21-17(20)14-7-4-8-18(11-14)16(19)15-9-12-5-2-3-6-13(12)10-15/h2-3,5-6,14-15H,4,7-11H2,1H3.
What are the key properties of methyl 1-(2,3-dihydro-1H-indene-2-carbonyl)piperidine-3-carboxylate?
methyl 1-(2,3-dihydro-1H-indene-2-carbonyl)piperidine-3-carboxylate has a molecular weight of 287.36 g/mol, XLogP of 1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2,3-dihydro-1H-indene-2-carbonyl)piperidine-3-carboxylate is sourced from PubChem (CID 112531649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).