tert-butyl N-[(2R)-2,3-dihydro-1H-indole-2-carbonyl]-N-piperidin-4-ylcarbamate

C19H27N3O3 — CID 70234918

IUPACtert-butyl N-[(2R)-2,3-dihydro-1H-indole-2-carbonyl]-N-piperidin-4-ylcarbamate
SMILESCC(C)(C)OC(=O)N(C(=O)[C@H]1Cc2ccccc2N1)C1CCNCC1
InChIInChI=1S/C19H27N3O3/c1-19(2,3)25-18(24)22(14-8-10-20-11-9-14)17(23)16-12-13-6-4-5-7-15(13)21-16/h4-7,14,16,20-21H,8-12H2,1-3H3/t16-/m1/s1
InChIKeySDABRQXGFNNESW-MRXNPFEDSA-N
MW345.44 g/mol
LogP2.54
Rot. Bonds2

About tert-butyl N-[(2R)-2,3-dihydro-1H-indole-2-carbonyl]-N-piperidin-4-ylcarbamate

tert-butyl N-[(2R)-2,3-dihydro-1H-indole-2-carbonyl]-N-piperidin-4-ylcarbamate (PubChem CID 70234918) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is tert-butyl N-[(2R)-2,3-dihydro-1H-indole-2-carbonyl]-N-piperidin-4-ylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-2,3-dihydro-1H-indole-2-carbonyl]-N-piperidin-4-ylcarbamate
PubChem CID70234918
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Nametert-butyl N-[(2R)-2,3-dihydro-1H-indole-2-carbonyl]-N-piperidin-4-ylcarbamate
SMILESCC(C)(C)OC(=O)N(C(=O)[C@H]1Cc2ccccc2N1)C1CCNCC1
InChIInChI=1S/C19H27N3O3/c1-19(2,3)25-18(24)22(14-8-10-20-11-9-14)17(23)16-12-13-6-4-5-7-15(13)21-16/h4-7,14,16,20-21H,8-12H2,1-3H3/t16-/m1/s1
InChIKeySDABRQXGFNNESW-MRXNPFEDSA-N
XLogP2.54
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-2,3-dihydro-1H-indole-2-carboxamide
CID 18184482
N-(4,4-dimethylcyclohexyl)-N-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 80566702
tert-butyl N-benzoyl-N-(1,2,3,4-tetrahydroquinolin-3-yl)carbamate
CID 90698838
(2S)-N-cyclopropyl-N-ethyl-2,3-dihydro-1H-indole-2-carboxamide
CID 61155358
N-methyl-N-(oxan-4-yl)-2,3-dihydro-1H-indole-2-carboxamide
CID 76893380
tert-butyl N-[(2R)-2-phenylcyclopropyl]-N-piperidin-4-ylcarbamate
CID 166765265
N-ethyl-N-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 76893209
N-cyclopropyl-N-propyl-2,3-dihydro-1H-indole-2-carboxamide
CID 76893036
N-(4-cyanophenyl)-N-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 76979846
bis(2,3-dihydro-1H-indol-2-yl)methanone
CID 174436301
tert-butyl N-phenyl-N-[(3S)-pyrrolidin-3-yl]carbamate
CID 129353875
ethyl 2-[cyclopropyl(2,3-dihydro-1H-indole-2-carbonyl)amino]acetate
CID 76894982

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-2,3-dihydro-1H-indole-2-carbonyl]-N-piperidin-4-ylcarbamate?
The IUPAC name of tert-butyl N-[(2R)-2,3-dihydro-1H-indole-2-carbonyl]-N-piperidin-4-ylcarbamate (CID 70234918) is tert-butyl N-[(2R)-2,3-dihydro-1H-indole-2-carbonyl]-N-piperidin-4-ylcarbamate.
What is the SMILES notation for tert-butyl N-[(2R)-2,3-dihydro-1H-indole-2-carbonyl]-N-piperidin-4-ylcarbamate?
The canonical SMILES for tert-butyl N-[(2R)-2,3-dihydro-1H-indole-2-carbonyl]-N-piperidin-4-ylcarbamate is CC(C)(C)OC(=O)N(C(=O)[C@H]1Cc2ccccc2N1)C1CCNCC1.
What is the InChIKey of tert-butyl N-[(2R)-2,3-dihydro-1H-indole-2-carbonyl]-N-piperidin-4-ylcarbamate?
The InChIKey is SDABRQXGFNNESW-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-19(2,3)25-18(24)22(14-8-10-20-11-9-14)17(23)16-12-13-6-4-5-7-15(13)21-16/h4-7,14,16,20-21H,8-12H2,1-3H3/t16-/m1/s1.
What are the key properties of tert-butyl N-[(2R)-2,3-dihydro-1H-indole-2-carbonyl]-N-piperidin-4-ylcarbamate?
tert-butyl N-[(2R)-2,3-dihydro-1H-indole-2-carbonyl]-N-piperidin-4-ylcarbamate has a molecular weight of 345.44 g/mol, XLogP of 2.54, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-2,3-dihydro-1H-indole-2-carbonyl]-N-piperidin-4-ylcarbamate is sourced from PubChem (CID 70234918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).