(3R)-3-(1,3-dioxolan-2-yl)-N-propylpiperidine-1-carboxamide

C12H22N2O3 — CID 95270427

IUPAC(3R)-3-(1,3-dioxolan-2-yl)-N-propylpiperidine-1-carboxamide
SMILESCCCNC(=O)N1CCC[C@@H](C2OCCO2)C1
InChIInChI=1S/C12H22N2O3/c1-2-5-13-12(15)14-6-3-4-10(9-14)11-16-7-8-17-11/h10-11H,2-9H2,1H3,(H,13,15)/t10-/m1/s1
InChIKeyJUIGYGFILZZGNH-SNVBAGLBSA-N
MW242.32 g/mol
LogP1.19
Rot. Bonds3

About (3R)-3-(1,3-dioxolan-2-yl)-N-propylpiperidine-1-carboxamide

(3R)-3-(1,3-dioxolan-2-yl)-N-propylpiperidine-1-carboxamide (PubChem CID 95270427) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is (3R)-3-(1,3-dioxolan-2-yl)-N-propylpiperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-(1,3-dioxolan-2-yl)-N-propylpiperidine-1-carboxamide
PubChem CID95270427
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name(3R)-3-(1,3-dioxolan-2-yl)-N-propylpiperidine-1-carboxamide
SMILESCCCNC(=O)N1CCC[C@@H](C2OCCO2)C1
InChIInChI=1S/C12H22N2O3/c1-2-5-13-12(15)14-6-3-4-10(9-14)11-16-7-8-17-11/h10-11H,2-9H2,1H3,(H,13,15)/t10-/m1/s1
InChIKeyJUIGYGFILZZGNH-SNVBAGLBSA-N
XLogP1.19
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(1,3-dioxolan-2-yl)-N-propylpiperidine-1-carboxamide?
The IUPAC name of (3R)-3-(1,3-dioxolan-2-yl)-N-propylpiperidine-1-carboxamide (CID 95270427) is (3R)-3-(1,3-dioxolan-2-yl)-N-propylpiperidine-1-carboxamide.
What is the SMILES notation for (3R)-3-(1,3-dioxolan-2-yl)-N-propylpiperidine-1-carboxamide?
The canonical SMILES for (3R)-3-(1,3-dioxolan-2-yl)-N-propylpiperidine-1-carboxamide is CCCNC(=O)N1CCC[C@@H](C2OCCO2)C1.
What is the InChIKey of (3R)-3-(1,3-dioxolan-2-yl)-N-propylpiperidine-1-carboxamide?
The InChIKey is JUIGYGFILZZGNH-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-2-5-13-12(15)14-6-3-4-10(9-14)11-16-7-8-17-11/h10-11H,2-9H2,1H3,(H,13,15)/t10-/m1/s1.
What are the key properties of (3R)-3-(1,3-dioxolan-2-yl)-N-propylpiperidine-1-carboxamide?
(3R)-3-(1,3-dioxolan-2-yl)-N-propylpiperidine-1-carboxamide has a molecular weight of 242.32 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(1,3-dioxolan-2-yl)-N-propylpiperidine-1-carboxamide is sourced from PubChem (CID 95270427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).