2-[[1-(3-methylbutanoyl)piperidin-4-yl]carbamoyl]cyclopropane-1-carboxylic acid

C15H24N2O4 — CID 119182817

IUPAC2-[[1-(3-methylbutanoyl)piperidin-4-yl]carbamoyl]cyclopropane-1-carboxylic acid
SMILESCC(C)CC(=O)N1CCC(NC(=O)C2CC2C(=O)O)CC1
InChIInChI=1S/C15H24N2O4/c1-9(2)7-13(18)17-5-3-10(4-6-17)16-14(19)11-8-12(11)15(20)21/h9-12H,3-8H2,1-2H3,(H,16,19)(H,20,21)
InChIKeyVVSGNFZUZQECIV-UHFFFAOYSA-N
MW296.37 g/mol
LogP0.86
Rot. Bonds5

About 2-[[1-(3-methylbutanoyl)piperidin-4-yl]carbamoyl]cyclopropane-1-carboxylic acid

2-[[1-(3-methylbutanoyl)piperidin-4-yl]carbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 119182817) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-[[1-(3-methylbutanoyl)piperidin-4-yl]carbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[1-(3-methylbutanoyl)piperidin-4-yl]carbamoyl]cyclopropane-1-carboxylic acid
PubChem CID119182817
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Name2-[[1-(3-methylbutanoyl)piperidin-4-yl]carbamoyl]cyclopropane-1-carboxylic acid
SMILESCC(C)CC(=O)N1CCC(NC(=O)C2CC2C(=O)O)CC1
InChIInChI=1S/C15H24N2O4/c1-9(2)7-13(18)17-5-3-10(4-6-17)16-14(19)11-8-12(11)15(20)21/h9-12H,3-8H2,1-2H3,(H,16,19)(H,20,21)
InChIKeyVVSGNFZUZQECIV-UHFFFAOYSA-N
XLogP0.86
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-methylpiperidin-4-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 60792023
N-[1-(3-methylbutanoyl)piperidin-4-yl]azetidine-1-carboxamide
CID 122156176
3,3-dimethyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]butanamide
CID 110819637
(2R,4R)-2-ethyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]-6-oxopiperidine-4-carboxamide
CID 99783216
N-[1-(3-methylbutanoyl)piperidin-4-yl]formamide
CID 130209713
1-amino-N-[1-(3-methylbutanoyl)piperidin-4-yl]cyclopentane-1-carboxamide
CID 119307388
2-[[1-(4-methylbenzoyl)piperidin-4-yl]carbamoyl]cyclopropane-1-carboxylic acid
CID 119183943
1-[1-(3-methylbutanoyl)piperidin-4-yl]-3-phenylurea
CID 110638001
N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-3-methylbutanamide
CID 110822230
2-(cyclooctylcarbamoyl)cyclopropane-1-carboxylic acid
CID 4638930
N-cyclohexyl-4-(3-methylbutanoyl)piperazine-1-carboxamide
CID 110810633
1-benzyl-3-[1-(3-methylbutanoyl)piperidin-4-yl]urea
CID 47085415

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(3-methylbutanoyl)piperidin-4-yl]carbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[[1-(3-methylbutanoyl)piperidin-4-yl]carbamoyl]cyclopropane-1-carboxylic acid (CID 119182817) is 2-[[1-(3-methylbutanoyl)piperidin-4-yl]carbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[[1-(3-methylbutanoyl)piperidin-4-yl]carbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[[1-(3-methylbutanoyl)piperidin-4-yl]carbamoyl]cyclopropane-1-carboxylic acid is CC(C)CC(=O)N1CCC(NC(=O)C2CC2C(=O)O)CC1.
What is the InChIKey of 2-[[1-(3-methylbutanoyl)piperidin-4-yl]carbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is VVSGNFZUZQECIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-9(2)7-13(18)17-5-3-10(4-6-17)16-14(19)11-8-12(11)15(20)21/h9-12H,3-8H2,1-2H3,(H,16,19)(H,20,21).
What are the key properties of 2-[[1-(3-methylbutanoyl)piperidin-4-yl]carbamoyl]cyclopropane-1-carboxylic acid?
2-[[1-(3-methylbutanoyl)piperidin-4-yl]carbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 296.37 g/mol, XLogP of 0.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(3-methylbutanoyl)piperidin-4-yl]carbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 119182817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).