trans-(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[(3R)-6-oxopiperidin-3-yl]cyclopropane-1-carboxamide

C15H24N2O2 — CID 95689859

IUPACtrans-(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[(3R)-6-oxopiperidin-3-yl]cyclopropane-1-carboxamide
SMILESCC(C)=C[C@@H]1[C@H](C(=O)N[C@@H]2CCC(=O)NC2)C1(C)C
InChIInChI=1S/C15H24N2O2/c1-9(2)7-11-13(15(11,3)4)14(19)17-10-5-6-12(18)16-8-10/h7,10-11,13H,5-6,8H2,1-4H3,(H,16,18)(H,17,19)/t10-,11-,13-/m1/s1
InChIKeyYIZGHDYLQCPTDY-NQBHXWOUSA-N
MW264.37 g/mol
LogP1.62
Rot. Bonds3

About trans-(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[(3R)-6-oxopiperidin-3-yl]cyclopropane-1-carboxamide

trans-(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[(3R)-6-oxopiperidin-3-yl]cyclopropane-1-carboxamide (PubChem CID 95689859) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is trans-(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[(3R)-6-oxopiperidin-3-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[(3R)-6-oxopiperidin-3-yl]cyclopropane-1-carboxamide
PubChem CID95689859
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Nametrans-(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[(3R)-6-oxopiperidin-3-yl]cyclopropane-1-carboxamide
SMILESCC(C)=C[C@@H]1[C@H](C(=O)N[C@@H]2CCC(=O)NC2)C1(C)C
InChIInChI=1S/C15H24N2O2/c1-9(2)7-11-13(15(11,3)4)14(19)17-10-5-6-12(18)16-8-10/h7,10-11,13H,5-6,8H2,1-4H3,(H,16,18)(H,17,19)/t10-,11-,13-/m1/s1
InChIKeyYIZGHDYLQCPTDY-NQBHXWOUSA-N
XLogP1.62
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 trans-(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[(3R)-6-oxopiperidin-3-yl]cyclopropane-1-carboxamide?
The IUPAC name of trans-(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[(3R)-6-oxopiperidin-3-yl]cyclopropane-1-carboxamide (CID 95689859) is trans-(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[(3R)-6-oxopiperidin-3-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[(3R)-6-oxopiperidin-3-yl]cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[(3R)-6-oxopiperidin-3-yl]cyclopropane-1-carboxamide is CC(C)=C[C@@H]1[C@H](C(=O)N[C@@H]2CCC(=O)NC2)C1(C)C.
What is the InChIKey of trans-(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[(3R)-6-oxopiperidin-3-yl]cyclopropane-1-carboxamide?
The InChIKey is YIZGHDYLQCPTDY-NQBHXWOUSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-9(2)7-11-13(15(11,3)4)14(19)17-10-5-6-12(18)16-8-10/h7,10-11,13H,5-6,8H2,1-4H3,(H,16,18)(H,17,19)/t10-,11-,13-/m1/s1.
What are the key properties of trans-(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[(3R)-6-oxopiperidin-3-yl]cyclopropane-1-carboxamide?
trans-(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[(3R)-6-oxopiperidin-3-yl]cyclopropane-1-carboxamide has a molecular weight of 264.37 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[(3R)-6-oxopiperidin-3-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 95689859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).