N-(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-3-(hydroxymethyl)-3-methylpiperidine-1-carboxamide

C19H28N2O2 — CID 110024706

IUPACN-(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-3-(hydroxymethyl)-3-methylpiperidine-1-carboxamide
SMILESCc1ccc2c(c1)C(NC(=O)N1CCCC(C)(CO)C1)C(C)C2
InChIInChI=1S/C19H28N2O2/c1-13-5-6-15-10-14(2)17(16(15)9-13)20-18(23)21-8-4-7-19(3,11-21)12-22/h5-6,9,14,17,22H,4,7-8,10-12H2,1-3H3,(H,20,23)
InChIKeyBOJYQJCORPIVFN-UHFFFAOYSA-N
MW316.44 g/mol
LogP3.03
Rot. Bonds2

About N-(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-3-(hydroxymethyl)-3-methylpiperidine-1-carboxamide

N-(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-3-(hydroxymethyl)-3-methylpiperidine-1-carboxamide (PubChem CID 110024706) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is N-(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-3-(hydroxymethyl)-3-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-3-(hydroxymethyl)-3-methylpiperidine-1-carboxamide
PubChem CID110024706
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC NameN-(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-3-(hydroxymethyl)-3-methylpiperidine-1-carboxamide
SMILESCc1ccc2c(c1)C(NC(=O)N1CCCC(C)(CO)C1)C(C)C2
InChIInChI=1S/C19H28N2O2/c1-13-5-6-15-10-14(2)17(16(15)9-13)20-18(23)21-8-4-7-19(3,11-21)12-22/h5-6,9,14,17,22H,4,7-8,10-12H2,1-3H3,(H,20,23)
InChIKeyBOJYQJCORPIVFN-UHFFFAOYSA-N
XLogP3.03
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(hydroxymethyl)-4-methyl-N-[(1S,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]piperidine-1-carboxamide
CID 99855136
N-[(1S,2S)-2,6-dimethyl-2,3-dihydro-1H-inden-1-yl]-3-oxopiperazine-1-carboxamide
CID 99782343
1-(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-3-[(1-hydroxycyclobutyl)methyl]urea
CID 110024695
4-[(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)amino]-4-oxobutanoic acid
CID 120552413
3-methyl-1-[[(1R)-7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122015160
3-methyl-1-[[(1S)-7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122014504
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-[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]-1,4-dioxa-7-azaspiro[4.4]nonane-7-carboxamide
CID 97024869
1-(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-3-[(1,5-dimethylpyrazol-4-yl)methyl]urea
CID 75475378
1-[(2-tert-butyl-1,2,4-triazol-3-yl)methyl]-3-[(1S,2R)-2,6-dimethyl-2,3-dihydro-1H-inden-1-yl]urea
CID 124852589
1-(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-3-(4-hydroxy-2-methylpentyl)urea
CID 110024645
N-(2-methyl-2,3-dihydro-1H-inden-1-yl)-3,8-dioxa-11-azaspiro[5.6]dodecane-11-carboxamide
CID 84600448

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-3-(hydroxymethyl)-3-methylpiperidine-1-carboxamide?
The IUPAC name of N-(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-3-(hydroxymethyl)-3-methylpiperidine-1-carboxamide (CID 110024706) is N-(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-3-(hydroxymethyl)-3-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-3-(hydroxymethyl)-3-methylpiperidine-1-carboxamide?
The canonical SMILES for N-(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-3-(hydroxymethyl)-3-methylpiperidine-1-carboxamide is Cc1ccc2c(c1)C(NC(=O)N1CCCC(C)(CO)C1)C(C)C2.
What is the InChIKey of N-(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-3-(hydroxymethyl)-3-methylpiperidine-1-carboxamide?
The InChIKey is BOJYQJCORPIVFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-13-5-6-15-10-14(2)17(16(15)9-13)20-18(23)21-8-4-7-19(3,11-21)12-22/h5-6,9,14,17,22H,4,7-8,10-12H2,1-3H3,(H,20,23).
What are the key properties of N-(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-3-(hydroxymethyl)-3-methylpiperidine-1-carboxamide?
N-(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-3-(hydroxymethyl)-3-methylpiperidine-1-carboxamide has a molecular weight of 316.44 g/mol, XLogP of 3.03, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-3-(hydroxymethyl)-3-methylpiperidine-1-carboxamide is sourced from PubChem (CID 110024706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).