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

C15H18N2O5 — CID 119180130

IUPAC2-[[1-(furan-3-carbonyl)piperidin-4-yl]carbamoyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1C(=O)NC1CCN(C(=O)c2ccoc2)CC1
InChIInChI=1S/C15H18N2O5/c18-13(11-7-12(11)15(20)21)16-10-1-4-17(5-2-10)14(19)9-3-6-22-8-9/h3,6,8,10-12H,1-2,4-5,7H2,(H,16,18)(H,20,21)
InChIKeyFIGHCESLRXOSHN-UHFFFAOYSA-N
MW306.32 g/mol
LogP0.72
Rot. Bonds4

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

2-[[1-(furan-3-carbonyl)piperidin-4-yl]carbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 119180130) has the molecular formula C15H18N2O5 and a molecular weight of 306.32 g/mol. Its IUPAC name is 2-[[1-(furan-3-carbonyl)piperidin-4-yl]carbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[1-(furan-3-carbonyl)piperidin-4-yl]carbamoyl]cyclopropane-1-carboxylic acid
PubChem CID119180130
Molecular FormulaC15H18N2O5
Molecular Weight306.32 g/mol
Exact Mass306.12
IUPAC Name2-[[1-(furan-3-carbonyl)piperidin-4-yl]carbamoyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1C(=O)NC1CCN(C(=O)c2ccoc2)CC1
InChIInChI=1S/C15H18N2O5/c18-13(11-7-12(11)15(20)21)16-10-1-4-17(5-2-10)14(19)9-3-6-22-8-9/h3,6,8,10-12H,1-2,4-5,7H2,(H,16,18)(H,20,21)
InChIKeyFIGHCESLRXOSHN-UHFFFAOYSA-N
XLogP0.72
TPSA99.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[1-(4-methylbenzoyl)piperidin-4-yl]carbamoyl]cyclopropane-1-carboxylic acid
CID 119183943
(2R)-N-[1-(furan-3-carbonyl)piperidin-4-yl]oxolane-2-carboxamide
CID 38197318
(1R)-N-[1-(furan-3-carbonyl)piperidin-4-yl]cyclohex-3-ene-1-carboxamide
CID 30746655
N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-methylpropanamide
CID 38198075
N-[1-(furan-3-carbonyl)piperidin-4-yl]-1-methylsulfonylpiperidine-4-carboxamide
CID 30711489
N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-(4-methylphenyl)-2-oxoacetamide
CID 38216371
N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-methylbenzamide
CID 38207852
5-bromo-N-[1-(furan-3-carbonyl)piperidin-4-yl]furan-2-carboxamide
CID 38198333
[4-[[(S)-cyclobutyl(phenyl)methyl]amino]piperidin-1-yl]-(furan-3-yl)methanone
CID 97081115
2-(2,6-dichlorophenyl)-N-[1-(furan-3-carbonyl)piperidin-4-yl]acetamide
CID 38198477
ethyl 3-[[1-(furan-3-carbonyl)piperidin-4-yl]carbamoyl]piperidine-1-carboxylate
CID 43057335
3-amino-N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-methyl-3-phenylpropanamide;hydrochloride
CID 119702922

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(furan-3-carbonyl)piperidin-4-yl]carbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[[1-(furan-3-carbonyl)piperidin-4-yl]carbamoyl]cyclopropane-1-carboxylic acid (CID 119180130) is 2-[[1-(furan-3-carbonyl)piperidin-4-yl]carbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[[1-(furan-3-carbonyl)piperidin-4-yl]carbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[[1-(furan-3-carbonyl)piperidin-4-yl]carbamoyl]cyclopropane-1-carboxylic acid is O=C(O)C1CC1C(=O)NC1CCN(C(=O)c2ccoc2)CC1.
What is the InChIKey of 2-[[1-(furan-3-carbonyl)piperidin-4-yl]carbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is FIGHCESLRXOSHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O5/c18-13(11-7-12(11)15(20)21)16-10-1-4-17(5-2-10)14(19)9-3-6-22-8-9/h3,6,8,10-12H,1-2,4-5,7H2,(H,16,18)(H,20,21).
What are the key properties of 2-[[1-(furan-3-carbonyl)piperidin-4-yl]carbamoyl]cyclopropane-1-carboxylic acid?
2-[[1-(furan-3-carbonyl)piperidin-4-yl]carbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 306.32 g/mol, XLogP of 0.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(furan-3-carbonyl)piperidin-4-yl]carbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 119180130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).