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

C20H28N2O3 — CID 96517030

IUPAC(3R)-1-(2,2-dimethylpropanoyl)-N-[(1S)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]piperidine-3-carboxamide
SMILESCC(C)(C)C(=O)N1CCC[C@@H](C(=O)N[C@H]2CCc3c(O)cccc32)C1
InChIInChI=1S/C20H28N2O3/c1-20(2,3)19(25)22-11-5-6-13(12-22)18(24)21-16-10-9-15-14(16)7-4-8-17(15)23/h4,7-8,13,16,23H,5-6,9-12H2,1-3H3,(H,21,24)/t13-,16+/m1/s1
InChIKeyMRIMSAPDPRPDSK-CJNGLKHVSA-N
MW344.46 g/mol
LogP2.78
Rot. Bonds2

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

(3R)-1-(2,2-dimethylpropanoyl)-N-[(1S)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]piperidine-3-carboxamide (PubChem CID 96517030) has the molecular formula C20H28N2O3 and a molecular weight of 344.46 g/mol. Its IUPAC name is (3R)-1-(2,2-dimethylpropanoyl)-N-[(1S)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(2,2-dimethylpropanoyl)-N-[(1S)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]piperidine-3-carboxamide
PubChem CID96517030
Molecular FormulaC20H28N2O3
Molecular Weight344.46 g/mol
Exact Mass344.21
IUPAC Name(3R)-1-(2,2-dimethylpropanoyl)-N-[(1S)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]piperidine-3-carboxamide
SMILESCC(C)(C)C(=O)N1CCC[C@@H](C(=O)N[C@H]2CCc3c(O)cccc32)C1
InChIInChI=1S/C20H28N2O3/c1-20(2,3)19(25)22-11-5-6-13(12-22)18(24)21-16-10-9-15-14(16)7-4-8-17(15)23/h4,7-8,13,16,23H,5-6,9-12H2,1-3H3,(H,21,24)/t13-,16+/m1/s1
InChIKeyMRIMSAPDPRPDSK-CJNGLKHVSA-N
XLogP2.78
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-(2,2-dimethylpropanoyl)-N-[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]piperidine-3-carboxamide
CID 94818124
1-(2,2-dimethylpropanoyl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)piperidine-3-carboxamide
CID 47998684
1-(2,2-dimethylpropanoyl)-N-methylpiperidine-3-carboxamide
CID 47406835
(3R)-N-(2-chlorophenyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide
CID 94857586
1-(2,2-dimethylpropanoyl)piperidine-3-carbohydrazide
CID 54793989
(3S)-N-(3-chlorophenyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide
CID 94857593
1-(2,2-dimethylpropanoyl)-N-(1-phenylethyl)piperidine-3-carboxamide
CID 47984430
(3S)-N-[(1S)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 95622347
N-(4-aminocyclohexyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide
CID 119479204
(3S)-1-(2,2-dimethylpropanoyl)-N-(2-methoxyphenyl)piperidine-3-carboxamide
CID 94857559
N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)-1,1-dioxo-1,4-thiazepane-4-carboxamide
CID 127713950
1-(2,2-dimethylpropanoyl)-N-(2-phenylethyl)piperidine-3-carboxamide
CID 47984523

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2,2-dimethylpropanoyl)-N-[(1S)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-(2,2-dimethylpropanoyl)-N-[(1S)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]piperidine-3-carboxamide (CID 96517030) is (3R)-1-(2,2-dimethylpropanoyl)-N-[(1S)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(2,2-dimethylpropanoyl)-N-[(1S)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-(2,2-dimethylpropanoyl)-N-[(1S)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]piperidine-3-carboxamide is CC(C)(C)C(=O)N1CCC[C@@H](C(=O)N[C@H]2CCc3c(O)cccc32)C1.
What is the InChIKey of (3R)-1-(2,2-dimethylpropanoyl)-N-[(1S)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]piperidine-3-carboxamide?
The InChIKey is MRIMSAPDPRPDSK-CJNGLKHVSA-N. The full InChI is InChI=1S/C20H28N2O3/c1-20(2,3)19(25)22-11-5-6-13(12-22)18(24)21-16-10-9-15-14(16)7-4-8-17(15)23/h4,7-8,13,16,23H,5-6,9-12H2,1-3H3,(H,21,24)/t13-,16+/m1/s1.
What are the key properties of (3R)-1-(2,2-dimethylpropanoyl)-N-[(1S)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]piperidine-3-carboxamide?
(3R)-1-(2,2-dimethylpropanoyl)-N-[(1S)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]piperidine-3-carboxamide has a molecular weight of 344.46 g/mol, XLogP of 2.78, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2,2-dimethylpropanoyl)-N-[(1S)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]piperidine-3-carboxamide is sourced from PubChem (CID 96517030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).