(3R)-3-(2-methyl-1,3-dioxolan-2-yl)-N-[(2S,3S)-3-methylpentan-2-yl]piperidine-1-carboxamide

C16H30N2O3 — CID 99854051

IUPAC(3R)-3-(2-methyl-1,3-dioxolan-2-yl)-N-[(2S,3S)-3-methylpentan-2-yl]piperidine-1-carboxamide
SMILESCC[C@H](C)[C@H](C)NC(=O)N1CCC[C@@H](C2(C)OCCO2)C1
InChIInChI=1S/C16H30N2O3/c1-5-12(2)13(3)17-15(19)18-8-6-7-14(11-18)16(4)20-9-10-21-16/h12-14H,5-11H2,1-4H3,(H,17,19)/t12-,13-,14+/m0/s1
InChIKeyXMGOPDBHNUYXMM-MELADBBJSA-N
MW298.43 g/mol
LogP2.61
Rot. Bonds4

About (3R)-3-(2-methyl-1,3-dioxolan-2-yl)-N-[(2S,3S)-3-methylpentan-2-yl]piperidine-1-carboxamide

(3R)-3-(2-methyl-1,3-dioxolan-2-yl)-N-[(2S,3S)-3-methylpentan-2-yl]piperidine-1-carboxamide (PubChem CID 99854051) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is (3R)-3-(2-methyl-1,3-dioxolan-2-yl)-N-[(2S,3S)-3-methylpentan-2-yl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-(2-methyl-1,3-dioxolan-2-yl)-N-[(2S,3S)-3-methylpentan-2-yl]piperidine-1-carboxamide
PubChem CID99854051
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Name(3R)-3-(2-methyl-1,3-dioxolan-2-yl)-N-[(2S,3S)-3-methylpentan-2-yl]piperidine-1-carboxamide
SMILESCC[C@H](C)[C@H](C)NC(=O)N1CCC[C@@H](C2(C)OCCO2)C1
InChIInChI=1S/C16H30N2O3/c1-5-12(2)13(3)17-15(19)18-8-6-7-14(11-18)16(4)20-9-10-21-16/h12-14H,5-11H2,1-4H3,(H,17,19)/t12-,13-,14+/m0/s1
InChIKeyXMGOPDBHNUYXMM-MELADBBJSA-N
XLogP2.61
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(2-methyl-1,3-dioxolan-2-yl)-N-[(2S,3S)-3-methylpentan-2-yl]piperidine-1-carboxamide?
The IUPAC name of (3R)-3-(2-methyl-1,3-dioxolan-2-yl)-N-[(2S,3S)-3-methylpentan-2-yl]piperidine-1-carboxamide (CID 99854051) is (3R)-3-(2-methyl-1,3-dioxolan-2-yl)-N-[(2S,3S)-3-methylpentan-2-yl]piperidine-1-carboxamide.
What is the SMILES notation for (3R)-3-(2-methyl-1,3-dioxolan-2-yl)-N-[(2S,3S)-3-methylpentan-2-yl]piperidine-1-carboxamide?
The canonical SMILES for (3R)-3-(2-methyl-1,3-dioxolan-2-yl)-N-[(2S,3S)-3-methylpentan-2-yl]piperidine-1-carboxamide is CC[C@H](C)[C@H](C)NC(=O)N1CCC[C@@H](C2(C)OCCO2)C1.
What is the InChIKey of (3R)-3-(2-methyl-1,3-dioxolan-2-yl)-N-[(2S,3S)-3-methylpentan-2-yl]piperidine-1-carboxamide?
The InChIKey is XMGOPDBHNUYXMM-MELADBBJSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-5-12(2)13(3)17-15(19)18-8-6-7-14(11-18)16(4)20-9-10-21-16/h12-14H,5-11H2,1-4H3,(H,17,19)/t12-,13-,14+/m0/s1.
What are the key properties of (3R)-3-(2-methyl-1,3-dioxolan-2-yl)-N-[(2S,3S)-3-methylpentan-2-yl]piperidine-1-carboxamide?
(3R)-3-(2-methyl-1,3-dioxolan-2-yl)-N-[(2S,3S)-3-methylpentan-2-yl]piperidine-1-carboxamide has a molecular weight of 298.43 g/mol, XLogP of 2.61, 4 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-[(2S,3S)-3-methylpentan-2-yl]piperidine-1-carboxamide is sourced from PubChem (CID 99854051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).