(2S)-N-benzyl-2-(1,3-dioxolan-2-yl)piperidine-1-carboxamide

C16H22N2O3 — CID 95268349

IUPAC(2S)-N-benzyl-2-(1,3-dioxolan-2-yl)piperidine-1-carboxamide
SMILESO=C(NCc1ccccc1)N1CCCC[C@H]1C1OCCO1
InChIInChI=1S/C16H22N2O3/c19-16(17-12-13-6-2-1-3-7-13)18-9-5-4-8-14(18)15-20-10-11-21-15/h1-3,6-7,14-15H,4-5,8-12H2,(H,17,19)/t14-/m0/s1
InChIKeyJRHLDOAFXPISPW-AWEZNQCLSA-N
MW290.36 g/mol
LogP2.12
Rot. Bonds3

About (2S)-N-benzyl-2-(1,3-dioxolan-2-yl)piperidine-1-carboxamide

(2S)-N-benzyl-2-(1,3-dioxolan-2-yl)piperidine-1-carboxamide (PubChem CID 95268349) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is (2S)-N-benzyl-2-(1,3-dioxolan-2-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-N-benzyl-2-(1,3-dioxolan-2-yl)piperidine-1-carboxamide
PubChem CID95268349
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name(2S)-N-benzyl-2-(1,3-dioxolan-2-yl)piperidine-1-carboxamide
SMILESO=C(NCc1ccccc1)N1CCCC[C@H]1C1OCCO1
InChIInChI=1S/C16H22N2O3/c19-16(17-12-13-6-2-1-3-7-13)18-9-5-4-8-14(18)15-20-10-11-21-15/h1-3,6-7,14-15H,4-5,8-12H2,(H,17,19)/t14-/m0/s1
InChIKeyJRHLDOAFXPISPW-AWEZNQCLSA-N
XLogP2.12
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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1-[(2R)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]-2-phenoxyethanone
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Frequently Asked Questions

What is the IUPAC name of (2S)-N-benzyl-2-(1,3-dioxolan-2-yl)piperidine-1-carboxamide?
The IUPAC name of (2S)-N-benzyl-2-(1,3-dioxolan-2-yl)piperidine-1-carboxamide (CID 95268349) is (2S)-N-benzyl-2-(1,3-dioxolan-2-yl)piperidine-1-carboxamide.
What is the SMILES notation for (2S)-N-benzyl-2-(1,3-dioxolan-2-yl)piperidine-1-carboxamide?
The canonical SMILES for (2S)-N-benzyl-2-(1,3-dioxolan-2-yl)piperidine-1-carboxamide is O=C(NCc1ccccc1)N1CCCC[C@H]1C1OCCO1.
What is the InChIKey of (2S)-N-benzyl-2-(1,3-dioxolan-2-yl)piperidine-1-carboxamide?
The InChIKey is JRHLDOAFXPISPW-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H22N2O3/c19-16(17-12-13-6-2-1-3-7-13)18-9-5-4-8-14(18)15-20-10-11-21-15/h1-3,6-7,14-15H,4-5,8-12H2,(H,17,19)/t14-/m0/s1.
What are the key properties of (2S)-N-benzyl-2-(1,3-dioxolan-2-yl)piperidine-1-carboxamide?
(2S)-N-benzyl-2-(1,3-dioxolan-2-yl)piperidine-1-carboxamide has a molecular weight of 290.36 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-benzyl-2-(1,3-dioxolan-2-yl)piperidine-1-carboxamide is sourced from PubChem (CID 95268349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).