4-(hydroxymethyl)-4-methyl-N-[(1S,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]piperidine-1-carboxamide

C18H26N2O2 — CID 99855136

IUPAC4-(hydroxymethyl)-4-methyl-N-[(1S,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]piperidine-1-carboxamide
SMILESC[C@@H]1Cc2ccccc2[C@H]1NC(=O)N1CCC(C)(CO)CC1
InChIInChI=1S/C18H26N2O2/c1-13-11-14-5-3-4-6-15(14)16(13)19-17(22)20-9-7-18(2,12-21)8-10-20/h3-6,13,16,21H,7-12H2,1-2H3,(H,19,22)/t13-,16+/m1/s1
InChIKeyPRNUKHCBRMUKPY-CJNGLKHVSA-N
MW302.42 g/mol
LogP2.72
Rot. Bonds2

About 4-(hydroxymethyl)-4-methyl-N-[(1S,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]piperidine-1-carboxamide

4-(hydroxymethyl)-4-methyl-N-[(1S,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]piperidine-1-carboxamide (PubChem CID 99855136) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 4-(hydroxymethyl)-4-methyl-N-[(1S,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(hydroxymethyl)-4-methyl-N-[(1S,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]piperidine-1-carboxamide
PubChem CID99855136
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name4-(hydroxymethyl)-4-methyl-N-[(1S,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]piperidine-1-carboxamide
SMILESC[C@@H]1Cc2ccccc2[C@H]1NC(=O)N1CCC(C)(CO)CC1
InChIInChI=1S/C18H26N2O2/c1-13-11-14-5-3-4-6-15(14)16(13)19-17(22)20-9-7-18(2,12-21)8-10-20/h3-6,13,16,21H,7-12H2,1-2H3,(H,19,22)/t13-,16+/m1/s1
InChIKeyPRNUKHCBRMUKPY-CJNGLKHVSA-N
XLogP2.72
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-(hydroxymethyl)-4-methyl-N-[(1S,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]piperidine-1-carboxamide with MolForge

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Related Compounds

4-hydroxy-N-[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]-4-(trifluoromethyl)piperidine-1-carboxamide
CID 97334234
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
N-(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-3-(hydroxymethyl)-3-methylpiperidine-1-carboxamide
CID 110024706
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
N-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-4-ethyl-4-(hydroxymethyl)piperidine-1-carboxamide
CID 138016639
N-[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]-4-[(3R)-oxolan-3-yl]oxypiperidine-1-carboxamide
CID 97094911
1-(2-hydroxyethyl)-3-(2-methyl-2,3-dihydro-1H-inden-1-yl)urea
CID 111116927
1-[(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122008246
4-(hydroxymethyl)-4-methyl-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)piperidine-1-carboxamide
CID 138030270
tert-butyl N-[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]carbamate
CID 163763965

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-4-methyl-N-[(1S,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]piperidine-1-carboxamide?
The IUPAC name of 4-(hydroxymethyl)-4-methyl-N-[(1S,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]piperidine-1-carboxamide (CID 99855136) is 4-(hydroxymethyl)-4-methyl-N-[(1S,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]piperidine-1-carboxamide.
What is the SMILES notation for 4-(hydroxymethyl)-4-methyl-N-[(1S,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]piperidine-1-carboxamide?
The canonical SMILES for 4-(hydroxymethyl)-4-methyl-N-[(1S,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]piperidine-1-carboxamide is C[C@@H]1Cc2ccccc2[C@H]1NC(=O)N1CCC(C)(CO)CC1.
What is the InChIKey of 4-(hydroxymethyl)-4-methyl-N-[(1S,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]piperidine-1-carboxamide?
The InChIKey is PRNUKHCBRMUKPY-CJNGLKHVSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-13-11-14-5-3-4-6-15(14)16(13)19-17(22)20-9-7-18(2,12-21)8-10-20/h3-6,13,16,21H,7-12H2,1-2H3,(H,19,22)/t13-,16+/m1/s1.
What are the key properties of 4-(hydroxymethyl)-4-methyl-N-[(1S,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]piperidine-1-carboxamide?
4-(hydroxymethyl)-4-methyl-N-[(1S,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]piperidine-1-carboxamide has a molecular weight of 302.42 g/mol, XLogP of 2.72, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-4-methyl-N-[(1S,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]piperidine-1-carboxamide is sourced from PubChem (CID 99855136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).