(3R)-N-[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]-3-(2-methyl-1,3-dioxolan-2-yl)piperidine-1-carboxamide

C18H28N2O4 — CID 97351101

IUPAC(3R)-N-[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]-3-(2-methyl-1,3-dioxolan-2-yl)piperidine-1-carboxamide
SMILESCc1cc([C@@H](C)NC(=O)N2CCC[C@@H](C3(C)OCCO3)C2)c(C)o1
InChIInChI=1S/C18H28N2O4/c1-12-10-16(14(3)24-12)13(2)19-17(21)20-7-5-6-15(11-20)18(4)22-8-9-23-18/h10,13,15H,5-9,11H2,1-4H3,(H,19,21)/t13-,15-/m1/s1
InChIKeyYEQBFBCXNBFUIX-UKRRQHHQSA-N
MW336.43 g/mol
LogP3.14
Rot. Bonds3

About (3R)-N-[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]-3-(2-methyl-1,3-dioxolan-2-yl)piperidine-1-carboxamide

(3R)-N-[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]-3-(2-methyl-1,3-dioxolan-2-yl)piperidine-1-carboxamide (PubChem CID 97351101) has the molecular formula C18H28N2O4 and a molecular weight of 336.43 g/mol. Its IUPAC name is (3R)-N-[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]-3-(2-methyl-1,3-dioxolan-2-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]-3-(2-methyl-1,3-dioxolan-2-yl)piperidine-1-carboxamide
PubChem CID97351101
Molecular FormulaC18H28N2O4
Molecular Weight336.43 g/mol
Exact Mass336.20
IUPAC Name(3R)-N-[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]-3-(2-methyl-1,3-dioxolan-2-yl)piperidine-1-carboxamide
SMILESCc1cc([C@@H](C)NC(=O)N2CCC[C@@H](C3(C)OCCO3)C2)c(C)o1
InChIInChI=1S/C18H28N2O4/c1-12-10-16(14(3)24-12)13(2)19-17(21)20-7-5-6-15(11-20)18(4)22-8-9-23-18/h10,13,15H,5-9,11H2,1-4H3,(H,19,21)/t13-,15-/m1/s1
InChIKeyYEQBFBCXNBFUIX-UKRRQHHQSA-N
XLogP3.14
TPSA63.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3,5-dimethylpiperidine-1-carboxamide
CID 60597945
(3R)-3-(2-methyl-1,3-dioxolan-2-yl)-N-[(2S,3S)-3-methylpentan-2-yl]piperidine-1-carboxamide
CID 99854051
2-[1-(2,5-dimethylfuran-3-yl)ethylamino]-1-(3-methylpiperidin-1-yl)ethanone
CID 86789730
1-[1-(2,5-dimethylfuran-3-yl)ethylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63147875
N-[(1S)-1-(2,5-dimethylfuran-3-yl)ethyl]-7,7-dimethyl-1,1-dioxo-1,4-thiazepane-4-carboxamide
CID 99839284
3-(2-methyl-1,3-dioxolan-2-yl)-N-[4-(1-methylpyrrol-2-yl)butan-2-yl]piperidine-1-carboxamide
CID 75454694
3-(2-methyl-1,3-dioxolan-2-yl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 122147137
(3S)-N-(2-fluoro-3-methylphenyl)-3-(2-methyl-1,3-dioxolan-2-yl)piperidine-1-carboxamide
CID 99854160
3-methyl-N-[1-(5-methylfuran-2-yl)ethyl]piperidine-1-carboxamide
CID 115583196
(3S)-N-[(1S)-1-(2,5-dimethylfuran-3-yl)ethyl]-3-pyridin-3-yloxypyrrolidine-1-carboxamide
CID 97067874
(3S)-N-(3,3-dimethylbutyl)-3-(2-methyl-1,3-dioxolan-2-yl)piperidine-1-carboxamide
CID 97350912
(3R)-3-(2-methyl-1,3-dioxolan-2-yl)-N-[(1S,2S,4S,5S)-3-tricyclo[3.2.1.02,4]octanyl]piperidine-1-carboxamide
CID 98878165

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]-3-(2-methyl-1,3-dioxolan-2-yl)piperidine-1-carboxamide?
The IUPAC name of (3R)-N-[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]-3-(2-methyl-1,3-dioxolan-2-yl)piperidine-1-carboxamide (CID 97351101) is (3R)-N-[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]-3-(2-methyl-1,3-dioxolan-2-yl)piperidine-1-carboxamide.
What is the SMILES notation for (3R)-N-[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]-3-(2-methyl-1,3-dioxolan-2-yl)piperidine-1-carboxamide?
The canonical SMILES for (3R)-N-[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]-3-(2-methyl-1,3-dioxolan-2-yl)piperidine-1-carboxamide is Cc1cc([C@@H](C)NC(=O)N2CCC[C@@H](C3(C)OCCO3)C2)c(C)o1.
What is the InChIKey of (3R)-N-[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]-3-(2-methyl-1,3-dioxolan-2-yl)piperidine-1-carboxamide?
The InChIKey is YEQBFBCXNBFUIX-UKRRQHHQSA-N. The full InChI is InChI=1S/C18H28N2O4/c1-12-10-16(14(3)24-12)13(2)19-17(21)20-7-5-6-15(11-20)18(4)22-8-9-23-18/h10,13,15H,5-9,11H2,1-4H3,(H,19,21)/t13-,15-/m1/s1.
What are the key properties of (3R)-N-[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]-3-(2-methyl-1,3-dioxolan-2-yl)piperidine-1-carboxamide?
(3R)-N-[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]-3-(2-methyl-1,3-dioxolan-2-yl)piperidine-1-carboxamide has a molecular weight of 336.43 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]-3-(2-methyl-1,3-dioxolan-2-yl)piperidine-1-carboxamide is sourced from PubChem (CID 97351101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).