ethyl 4-[[(1R)-2,3-dihydro-1H-indene-1-carbonyl]amino]piperidine-1-carboxylate

C18H24N2O3 — CID 99939190

IUPACethyl 4-[[(1R)-2,3-dihydro-1H-indene-1-carbonyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)[C@@H]2CCc3ccccc32)CC1
InChIInChI=1S/C18H24N2O3/c1-2-23-18(22)20-11-9-14(10-12-20)19-17(21)16-8-7-13-5-3-4-6-15(13)16/h3-6,14,16H,2,7-12H2,1H3,(H,19,21)/t16-/m1/s1
InChIKeyIBMFHNAISZEVNU-MRXNPFEDSA-N
MW316.40 g/mol
LogP2.45
Rot. Bonds3

About ethyl 4-[[(1R)-2,3-dihydro-1H-indene-1-carbonyl]amino]piperidine-1-carboxylate

ethyl 4-[[(1R)-2,3-dihydro-1H-indene-1-carbonyl]amino]piperidine-1-carboxylate (PubChem CID 99939190) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is ethyl 4-[[(1R)-2,3-dihydro-1H-indene-1-carbonyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[(1R)-2,3-dihydro-1H-indene-1-carbonyl]amino]piperidine-1-carboxylate
PubChem CID99939190
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Nameethyl 4-[[(1R)-2,3-dihydro-1H-indene-1-carbonyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)[C@@H]2CCc3ccccc32)CC1
InChIInChI=1S/C18H24N2O3/c1-2-23-18(22)20-11-9-14(10-12-20)19-17(21)16-8-7-13-5-3-4-6-15(13)16/h3-6,14,16H,2,7-12H2,1H3,(H,19,21)/t16-/m1/s1
InChIKeyIBMFHNAISZEVNU-MRXNPFEDSA-N
XLogP2.45
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-(3,4-dihydro-2H-chromene-4-carbonylamino)piperidine-1-carboxylate
CID 110648883
(1R)-N-[1-[2-(cyclopropylamino)-2-oxoethyl]piperidin-4-yl]-2,3-dihydro-1H-indene-1-carboxamide
CID 99949518
ethyl 4-(2,3-dihydro-1-benzothiophene-2-carbonylamino)piperidine-1-carboxylate
CID 51314246
ethyl 4-benzamidopiperidine-1-carboxylate
CID 18120666
ethyl 4-[[(4S)-2,3,4,5-tetrahydro-1-benzoxepine-4-carbonyl]amino]piperidine-1-carboxylate
CID 97276064
ethyl 4-[[N'-(2,3-dihydro-1-benzofuran-3-yl)carbamimidoyl]amino]piperidine-1-carboxylate
CID 110050388
(1S)-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]-2,3-dihydro-1H-indene-1-carboxamide
CID 99946478
ethyl 4-(9H-fluoren-9-ylamino)piperidine-1-carboxylate
CID 40515300
ethyl 4-[[4-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]benzoyl]amino]piperidine-1-carboxylate
CID 24644255
ethyl 4-[(2,3-dimethoxy-8-oxo-5,6,13,13a-tetrahydroisoquinolino[2,1-b]isoquinoline-13-carbonyl)amino]piperidine-1-carboxylate
CID 46247910
ethyl 4-[[N'-[2-[benzyl(methyl)amino]ethyl]carbamimidoyl]amino]piperidine-1-carboxylate
CID 111078737
ethyl 4-[(1-benzylpiperidin-4-yl)carbamoylamino]piperidine-1-carboxylate
CID 55472237

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[(1R)-2,3-dihydro-1H-indene-1-carbonyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[(1R)-2,3-dihydro-1H-indene-1-carbonyl]amino]piperidine-1-carboxylate (CID 99939190) is ethyl 4-[[(1R)-2,3-dihydro-1H-indene-1-carbonyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[(1R)-2,3-dihydro-1H-indene-1-carbonyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[(1R)-2,3-dihydro-1H-indene-1-carbonyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)[C@@H]2CCc3ccccc32)CC1.
What is the InChIKey of ethyl 4-[[(1R)-2,3-dihydro-1H-indene-1-carbonyl]amino]piperidine-1-carboxylate?
The InChIKey is IBMFHNAISZEVNU-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-2-23-18(22)20-11-9-14(10-12-20)19-17(21)16-8-7-13-5-3-4-6-15(13)16/h3-6,14,16H,2,7-12H2,1H3,(H,19,21)/t16-/m1/s1.
What are the key properties of ethyl 4-[[(1R)-2,3-dihydro-1H-indene-1-carbonyl]amino]piperidine-1-carboxylate?
ethyl 4-[[(1R)-2,3-dihydro-1H-indene-1-carbonyl]amino]piperidine-1-carboxylate has a molecular weight of 316.40 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[(1R)-2,3-dihydro-1H-indene-1-carbonyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 99939190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).