(3R)-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-1-(furan-3-carbonyl)piperidine-3-carboxamide

C19H28N2O3 — CID 124817203

IUPAC(3R)-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-1-(furan-3-carbonyl)piperidine-3-carboxamide
SMILESC[C@H]1[C@H](C)CCC[C@@H]1NC(=O)[C@@H]1CCCN(C(=O)c2ccoc2)C1
InChIInChI=1S/C19H28N2O3/c1-13-5-3-7-17(14(13)2)20-18(22)15-6-4-9-21(11-15)19(23)16-8-10-24-12-16/h8,10,12-15,17H,3-7,9,11H2,1-2H3,(H,20,22)/t13-,14+,15-,17+/m1/s1
InChIKeyVNQBGBMUWXYFIW-DLTWYDFYSA-N
MW332.44 g/mol
LogP3.07
Rot. Bonds3

About (3R)-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-1-(furan-3-carbonyl)piperidine-3-carboxamide

(3R)-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-1-(furan-3-carbonyl)piperidine-3-carboxamide (PubChem CID 124817203) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is (3R)-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-1-(furan-3-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-1-(furan-3-carbonyl)piperidine-3-carboxamide
PubChem CID124817203
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name(3R)-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-1-(furan-3-carbonyl)piperidine-3-carboxamide
SMILESC[C@H]1[C@H](C)CCC[C@@H]1NC(=O)[C@@H]1CCCN(C(=O)c2ccoc2)C1
InChIInChI=1S/C19H28N2O3/c1-13-5-3-7-17(14(13)2)20-18(22)15-6-4-9-21(11-15)19(23)16-8-10-24-12-16/h8,10,12-15,17H,3-7,9,11H2,1-2H3,(H,20,22)/t13-,14+,15-,17+/m1/s1
InChIKeyVNQBGBMUWXYFIW-DLTWYDFYSA-N
XLogP3.07
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R)-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-1-(furan-3-carbonyl)piperidine-3-carboxamide with MolForge

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Related Compounds

N-(2,3-dimethylcyclohexyl)-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 134060586
(3S)-N-ethyl-1-(furan-3-carbonyl)piperidine-3-carboxamide
CID 30830527
methyl (3S)-1-(furan-3-carbonyl)piperidine-3-carboxylate
CID 78919632
1-(furan-3-carbonyl)-N,N-dimethylpiperidine-3-carboxamide
CID 42891354
1-(furan-3-carbonyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 46577074
methyl 4-[[1-(furan-3-carbonyl)piperidine-3-carbonyl]amino]benzoate
CID 46568061
ethyl 3-[[1-(furan-3-carbonyl)piperidin-4-yl]carbamoyl]piperidine-1-carboxylate
CID 43057335
N-(3,5-dichlorophenyl)-1-(furan-3-carbonyl)piperidine-3-carboxamide
CID 42948171
(3S)-1-(furan-3-carbonyl)-N-(2-pyrrolidin-1-ylphenyl)piperidine-3-carboxamide
CID 30806067
N-(3,4-dichlorophenyl)-1-(furan-3-carbonyl)piperidine-3-carboxamide
CID 46568104
1-(azepan-1-ylsulfonyl)-N-(2,3-dimethylcyclohexyl)piperidine-3-carboxamide
CID 156601462
N-(2-bromo-4-methylphenyl)-1-(furan-3-carbonyl)piperidine-3-carboxamide
CID 42948198

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-1-(furan-3-carbonyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-1-(furan-3-carbonyl)piperidine-3-carboxamide (CID 124817203) is (3R)-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-1-(furan-3-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-1-(furan-3-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-1-(furan-3-carbonyl)piperidine-3-carboxamide is C[C@H]1[C@H](C)CCC[C@@H]1NC(=O)[C@@H]1CCCN(C(=O)c2ccoc2)C1.
What is the InChIKey of (3R)-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-1-(furan-3-carbonyl)piperidine-3-carboxamide?
The InChIKey is VNQBGBMUWXYFIW-DLTWYDFYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-13-5-3-7-17(14(13)2)20-18(22)15-6-4-9-21(11-15)19(23)16-8-10-24-12-16/h8,10,12-15,17H,3-7,9,11H2,1-2H3,(H,20,22)/t13-,14+,15-,17+/m1/s1.
What are the key properties of (3R)-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-1-(furan-3-carbonyl)piperidine-3-carboxamide?
(3R)-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-1-(furan-3-carbonyl)piperidine-3-carboxamide has a molecular weight of 332.44 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-1-(furan-3-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 124817203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).