trans-(1R,3S)-2,2-dimethyl-N-[1-(2-methylpropanoyl)piperidin-4-yl]-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide

C19H32N2O2 — CID 33025347

IUPACtrans-(1R,3S)-2,2-dimethyl-N-[1-(2-methylpropanoyl)piperidin-4-yl]-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
SMILESCC(C)=C[C@H]1[C@@H](C(=O)NC2CCN(C(=O)C(C)C)CC2)C1(C)C
InChIInChI=1S/C19H32N2O2/c1-12(2)11-15-16(19(15,5)6)17(22)20-14-7-9-21(10-8-14)18(23)13(3)4/h11,13-16H,7-10H2,1-6H3,(H,20,22)/t15-,16-/m0/s1
InChIKeyPYFWJFIQKISBDZ-HOTGVXAUSA-N
MW320.48 g/mol
LogP2.99
Rot. Bonds4

About trans-(1R,3S)-2,2-dimethyl-N-[1-(2-methylpropanoyl)piperidin-4-yl]-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide

trans-(1R,3S)-2,2-dimethyl-N-[1-(2-methylpropanoyl)piperidin-4-yl]-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide (PubChem CID 33025347) has the molecular formula C19H32N2O2 and a molecular weight of 320.48 g/mol. Its IUPAC name is trans-(1R,3S)-2,2-dimethyl-N-[1-(2-methylpropanoyl)piperidin-4-yl]-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,3S)-2,2-dimethyl-N-[1-(2-methylpropanoyl)piperidin-4-yl]-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
PubChem CID33025347
Molecular FormulaC19H32N2O2
Molecular Weight320.48 g/mol
Exact Mass320.25
IUPAC Nametrans-(1R,3S)-2,2-dimethyl-N-[1-(2-methylpropanoyl)piperidin-4-yl]-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
SMILESCC(C)=C[C@H]1[C@@H](C(=O)NC2CCN(C(=O)C(C)C)CC2)C1(C)C
InChIInChI=1S/C19H32N2O2/c1-12(2)11-15-16(19(15,5)6)17(22)20-14-7-9-21(10-8-14)18(23)13(3)4/h11,13-16H,7-10H2,1-6H3,(H,20,22)/t15-,16-/m0/s1
InChIKeyPYFWJFIQKISBDZ-HOTGVXAUSA-N
XLogP2.99
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 52.99
H-Bond Donors ≤ 51
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-(1R,3S)-2,2-dimethyl-N-[1-(2-methylpropanoyl)piperidin-4-yl]-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,3S)-2,2-dimethyl-N-[1-(2-methylpropanoyl)piperidin-4-yl]-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide (CID 33025347) is trans-(1R,3S)-2,2-dimethyl-N-[1-(2-methylpropanoyl)piperidin-4-yl]-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,3S)-2,2-dimethyl-N-[1-(2-methylpropanoyl)piperidin-4-yl]-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,3S)-2,2-dimethyl-N-[1-(2-methylpropanoyl)piperidin-4-yl]-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide is CC(C)=C[C@H]1[C@@H](C(=O)NC2CCN(C(=O)C(C)C)CC2)C1(C)C.
What is the InChIKey of trans-(1R,3S)-2,2-dimethyl-N-[1-(2-methylpropanoyl)piperidin-4-yl]-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide?
The InChIKey is PYFWJFIQKISBDZ-HOTGVXAUSA-N. The full InChI is InChI=1S/C19H32N2O2/c1-12(2)11-15-16(19(15,5)6)17(22)20-14-7-9-21(10-8-14)18(23)13(3)4/h11,13-16H,7-10H2,1-6H3,(H,20,22)/t15-,16-/m0/s1.
What are the key properties of trans-(1R,3S)-2,2-dimethyl-N-[1-(2-methylpropanoyl)piperidin-4-yl]-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide?
trans-(1R,3S)-2,2-dimethyl-N-[1-(2-methylpropanoyl)piperidin-4-yl]-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide has a molecular weight of 320.48 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,3S)-2,2-dimethyl-N-[1-(2-methylpropanoyl)piperidin-4-yl]-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 33025347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).