(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

C18H28N2O3 — CID 98878165

IUPAC(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
SMILESCC1([C@@H]2CCCN(C(=O)NC3[C@H]4[C@H]5CC[C@@H](C5)[C@H]34)C2)OCCO1
InChIInChI=1S/C18H28N2O3/c1-18(22-7-8-23-18)13-3-2-6-20(10-13)17(21)19-16-14-11-4-5-12(9-11)15(14)16/h11-16H,2-10H2,1H3,(H,19,21)/t11-,12-,13+,14-,15-/m0/s1
InChIKeyRMGXCOANKBEENE-RMEBNNNOSA-N
MW320.43 g/mol
LogP2.22
Rot. Bonds2

About (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

(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 (PubChem CID 98878165) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID98878165
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Name(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
SMILESCC1([C@@H]2CCCN(C(=O)NC3[C@H]4[C@H]5CC[C@@H](C5)[C@H]34)C2)OCCO1
InChIInChI=1S/C18H28N2O3/c1-18(22-7-8-23-18)13-3-2-6-20(10-13)17(21)19-16-14-11-4-5-12(9-11)15(14)16/h11-16H,2-10H2,1H3,(H,19,21)/t11-,12-,13+,14-,15-/m0/s1
InChIKeyRMGXCOANKBEENE-RMEBNNNOSA-N
XLogP2.22
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CC1([C@@H]2CCCN(C(=O)NC3[C@H]4[C@H]5CC[C@@H](C5)[C@H]34)C2)OCCO1.
What is the InChIKey of (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?
The InChIKey is RMGXCOANKBEENE-RMEBNNNOSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-18(22-7-8-23-18)13-3-2-6-20(10-13)17(21)19-16-14-11-4-5-12(9-11)15(14)16/h11-16H,2-10H2,1H3,(H,19,21)/t11-,12-,13+,14-,15-/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 320.43 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 98878165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).