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

C16H26N2O3 — CID 99820518

IUPAC(3R)-N-[(1R)-cyclohex-3-en-1-yl]-3-(2-methyl-1,3-dioxolan-2-yl)piperidine-1-carboxamide
SMILESCC1([C@@H]2CCCN(C(=O)N[C@H]3CC=CCC3)C2)OCCO1
InChIInChI=1S/C16H26N2O3/c1-16(20-10-11-21-16)13-6-5-9-18(12-13)15(19)17-14-7-3-2-4-8-14/h2-3,13-14H,4-12H2,1H3,(H,17,19)/t13-,14+/m1/s1
InChIKeyGPKHLXWBTUYVAR-KGLIPLIRSA-N
MW294.39 g/mol
LogP2.28
Rot. Bonds2

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

(3R)-N-[(1R)-cyclohex-3-en-1-yl]-3-(2-methyl-1,3-dioxolan-2-yl)piperidine-1-carboxamide (PubChem CID 99820518) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is (3R)-N-[(1R)-cyclohex-3-en-1-yl]-3-(2-methyl-1,3-dioxolan-2-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(1R)-cyclohex-3-en-1-yl]-3-(2-methyl-1,3-dioxolan-2-yl)piperidine-1-carboxamide
PubChem CID99820518
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Name(3R)-N-[(1R)-cyclohex-3-en-1-yl]-3-(2-methyl-1,3-dioxolan-2-yl)piperidine-1-carboxamide
SMILESCC1([C@@H]2CCCN(C(=O)N[C@H]3CC=CCC3)C2)OCCO1
InChIInChI=1S/C16H26N2O3/c1-16(20-10-11-21-16)13-6-5-9-18(12-13)15(19)17-14-7-3-2-4-8-14/h2-3,13-14H,4-12H2,1H3,(H,17,19)/t13-,14+/m1/s1
InChIKeyGPKHLXWBTUYVAR-KGLIPLIRSA-N
XLogP2.28
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(1R)-cyclohex-3-en-1-yl]-3-(2-methyl-1,3-dioxolan-2-yl)piperidine-1-carboxamide?
The IUPAC name of (3R)-N-[(1R)-cyclohex-3-en-1-yl]-3-(2-methyl-1,3-dioxolan-2-yl)piperidine-1-carboxamide (CID 99820518) is (3R)-N-[(1R)-cyclohex-3-en-1-yl]-3-(2-methyl-1,3-dioxolan-2-yl)piperidine-1-carboxamide.
What is the SMILES notation for (3R)-N-[(1R)-cyclohex-3-en-1-yl]-3-(2-methyl-1,3-dioxolan-2-yl)piperidine-1-carboxamide?
The canonical SMILES for (3R)-N-[(1R)-cyclohex-3-en-1-yl]-3-(2-methyl-1,3-dioxolan-2-yl)piperidine-1-carboxamide is CC1([C@@H]2CCCN(C(=O)N[C@H]3CC=CCC3)C2)OCCO1.
What is the InChIKey of (3R)-N-[(1R)-cyclohex-3-en-1-yl]-3-(2-methyl-1,3-dioxolan-2-yl)piperidine-1-carboxamide?
The InChIKey is GPKHLXWBTUYVAR-KGLIPLIRSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-16(20-10-11-21-16)13-6-5-9-18(12-13)15(19)17-14-7-3-2-4-8-14/h2-3,13-14H,4-12H2,1H3,(H,17,19)/t13-,14+/m1/s1.
What are the key properties of (3R)-N-[(1R)-cyclohex-3-en-1-yl]-3-(2-methyl-1,3-dioxolan-2-yl)piperidine-1-carboxamide?
(3R)-N-[(1R)-cyclohex-3-en-1-yl]-3-(2-methyl-1,3-dioxolan-2-yl)piperidine-1-carboxamide has a molecular weight of 294.39 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(1R)-cyclohex-3-en-1-yl]-3-(2-methyl-1,3-dioxolan-2-yl)piperidine-1-carboxamide is sourced from PubChem (CID 99820518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).