N-[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]-4-[(3R)-oxolan-3-yl]oxypiperidine-1-carboxamide

C20H28N2O3 — CID 97094911

IUPACN-[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]-4-[(3R)-oxolan-3-yl]oxypiperidine-1-carboxamide
SMILESC[C@@H]1Cc2ccccc2[C@@H]1NC(=O)N1CCC(O[C@@H]2CCOC2)CC1
InChIInChI=1S/C20H28N2O3/c1-14-12-15-4-2-3-5-18(15)19(14)21-20(23)22-9-6-16(7-10-22)25-17-8-11-24-13-17/h2-5,14,16-17,19H,6-13H2,1H3,(H,21,23)/t14-,17-,19-/m1/s1
InChIKeyHJGDKYKRWGVSSQ-LSBZLQRGSA-N
MW344.46 g/mol
LogP2.90
Rot. Bonds3

About N-[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]-4-[(3R)-oxolan-3-yl]oxypiperidine-1-carboxamide

N-[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]-4-[(3R)-oxolan-3-yl]oxypiperidine-1-carboxamide (PubChem CID 97094911) has the molecular formula C20H28N2O3 and a molecular weight of 344.46 g/mol. Its IUPAC name is N-[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]-4-[(3R)-oxolan-3-yl]oxypiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]-4-[(3R)-oxolan-3-yl]oxypiperidine-1-carboxamide
PubChem CID97094911
Molecular FormulaC20H28N2O3
Molecular Weight344.46 g/mol
Exact Mass344.21
IUPAC NameN-[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]-4-[(3R)-oxolan-3-yl]oxypiperidine-1-carboxamide
SMILESC[C@@H]1Cc2ccccc2[C@@H]1NC(=O)N1CCC(O[C@@H]2CCOC2)CC1
InChIInChI=1S/C20H28N2O3/c1-14-12-15-4-2-3-5-18(15)19(14)21-20(23)22-9-6-16(7-10-22)25-17-8-11-24-13-17/h2-5,14,16-17,19H,6-13H2,1H3,(H,21,23)/t14-,17-,19-/m1/s1
InChIKeyHJGDKYKRWGVSSQ-LSBZLQRGSA-N
XLogP2.90
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]-1,4-dioxa-7-azaspiro[4.4]nonane-7-carboxamide
CID 97024869
N-[(1S,2S)-2-methyl-2,3-dihydro-1H-inden-1-yl]-1,4-dioxa-7-azaspiro[4.4]nonane-7-carboxamide
CID 97024872
4-hydroxy-N-[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]-4-(trifluoromethyl)piperidine-1-carboxamide
CID 97334234
4-(hydroxymethyl)-4-methyl-N-[(1S,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]piperidine-1-carboxamide
CID 99855136
N-(2-methyl-2,3-dihydro-1H-inden-1-yl)-3,8-dioxa-11-azaspiro[5.6]dodecane-11-carboxamide
CID 84600448
N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)pyrrolidine-1-carboxamide
CID 112729494
1-[(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122008246
tert-butyl N-[(1R,2S)-2-methyl-2,3-dihydro-1H-inden-1-yl]carbamate
CID 142301737
tert-butyl N-[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]carbamate
CID 163763965
1-[2-(4-methoxypiperidin-1-yl)ethyl]-3-[(1R,2S)-2-methyl-2,3-dihydro-1H-inden-1-yl]urea
CID 96562833
N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)oxane-3-carboxamide
CID 62758276
N-[(2R)-1-[(3S)-oxolan-3-yl]oxypropan-2-yl]-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide
CID 129381643

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]-4-[(3R)-oxolan-3-yl]oxypiperidine-1-carboxamide?
The IUPAC name of N-[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]-4-[(3R)-oxolan-3-yl]oxypiperidine-1-carboxamide (CID 97094911) is N-[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]-4-[(3R)-oxolan-3-yl]oxypiperidine-1-carboxamide.
What is the SMILES notation for N-[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]-4-[(3R)-oxolan-3-yl]oxypiperidine-1-carboxamide?
The canonical SMILES for N-[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]-4-[(3R)-oxolan-3-yl]oxypiperidine-1-carboxamide is C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)N1CCC(O[C@@H]2CCOC2)CC1.
What is the InChIKey of N-[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]-4-[(3R)-oxolan-3-yl]oxypiperidine-1-carboxamide?
The InChIKey is HJGDKYKRWGVSSQ-LSBZLQRGSA-N. The full InChI is InChI=1S/C20H28N2O3/c1-14-12-15-4-2-3-5-18(15)19(14)21-20(23)22-9-6-16(7-10-22)25-17-8-11-24-13-17/h2-5,14,16-17,19H,6-13H2,1H3,(H,21,23)/t14-,17-,19-/m1/s1.
What are the key properties of N-[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]-4-[(3R)-oxolan-3-yl]oxypiperidine-1-carboxamide?
N-[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]-4-[(3R)-oxolan-3-yl]oxypiperidine-1-carboxamide has a molecular weight of 344.46 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]-4-[(3R)-oxolan-3-yl]oxypiperidine-1-carboxamide is sourced from PubChem (CID 97094911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).