N-[1-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]cyclopropanecarboxamide

C21H35N3O3 — CID 46037054

IUPACN-[1-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]cyclopropanecarboxamide
SMILESCC(C)(C)CC(=O)N1CCC(C(NC(=O)C2CC2)C(=O)N2CCCC2)CC1
InChIInChI=1S/C21H35N3O3/c1-21(2,3)14-17(25)23-12-8-15(9-13-23)18(22-19(26)16-6-7-16)20(27)24-10-4-5-11-24/h15-16,18H,4-14H2,1-3H3,(H,22,26)
InChIKeyKUBRGFWVYZRXCF-UHFFFAOYSA-N
MW377.53 g/mol
LogP2.18
Rot. Bonds5

About N-[1-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]cyclopropanecarboxamide

N-[1-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]cyclopropanecarboxamide (PubChem CID 46037054) has the molecular formula C21H35N3O3 and a molecular weight of 377.53 g/mol. Its IUPAC name is N-[1-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[1-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]cyclopropanecarboxamide
PubChem CID46037054
Molecular FormulaC21H35N3O3
Molecular Weight377.53 g/mol
Exact Mass377.27
IUPAC NameN-[1-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]cyclopropanecarboxamide
SMILESCC(C)(C)CC(=O)N1CCC(C(NC(=O)C2CC2)C(=O)N2CCCC2)CC1
InChIInChI=1S/C21H35N3O3/c1-21(2,3)14-17(25)23-12-8-15(9-13-23)18(22-19(26)16-6-7-16)20(27)24-10-4-5-11-24/h15-16,18H,4-14H2,1-3H3,(H,22,26)
InChIKeyKUBRGFWVYZRXCF-UHFFFAOYSA-N
XLogP2.18
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.53
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]cyclopropanecarboxamide?
The IUPAC name of N-[1-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]cyclopropanecarboxamide (CID 46037054) is N-[1-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[1-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[1-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]cyclopropanecarboxamide is CC(C)(C)CC(=O)N1CCC(C(NC(=O)C2CC2)C(=O)N2CCCC2)CC1.
What is the InChIKey of N-[1-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]cyclopropanecarboxamide?
The InChIKey is KUBRGFWVYZRXCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N3O3/c1-21(2,3)14-17(25)23-12-8-15(9-13-23)18(22-19(26)16-6-7-16)20(27)24-10-4-5-11-24/h15-16,18H,4-14H2,1-3H3,(H,22,26).
What are the key properties of N-[1-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]cyclopropanecarboxamide?
N-[1-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]cyclopropanecarboxamide has a molecular weight of 377.53 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]cyclopropanecarboxamide is sourced from PubChem (CID 46037054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).