4-[4-(cyclopropanecarbonylamino)piperidin-1-yl]-4-oxobutanoic acid

C13H20N2O4 — CID 54875546

IUPAC4-[4-(cyclopropanecarbonylamino)piperidin-1-yl]-4-oxobutanoic acid
SMILESO=C(O)CCC(=O)N1CCC(NC(=O)C2CC2)CC1
InChIInChI=1S/C13H20N2O4/c16-11(3-4-12(17)18)15-7-5-10(6-8-15)14-13(19)9-1-2-9/h9-10H,1-8H2,(H,14,19)(H,17,18)
InChIKeyRNHAIDYCARXHKU-UHFFFAOYSA-N
MW268.31 g/mol
LogP0.37
Rot. Bonds5

About 4-[4-(cyclopropanecarbonylamino)piperidin-1-yl]-4-oxobutanoic acid

4-[4-(cyclopropanecarbonylamino)piperidin-1-yl]-4-oxobutanoic acid (PubChem CID 54875546) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is 4-[4-(cyclopropanecarbonylamino)piperidin-1-yl]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[4-(cyclopropanecarbonylamino)piperidin-1-yl]-4-oxobutanoic acid
PubChem CID54875546
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name4-[4-(cyclopropanecarbonylamino)piperidin-1-yl]-4-oxobutanoic acid
SMILESO=C(O)CCC(=O)N1CCC(NC(=O)C2CC2)CC1
InChIInChI=1S/C13H20N2O4/c16-11(3-4-12(17)18)15-7-5-10(6-8-15)14-13(19)9-1-2-9/h9-10H,1-8H2,(H,14,19)(H,17,18)
InChIKeyRNHAIDYCARXHKU-UHFFFAOYSA-N
XLogP0.37
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-butanoylpiperidin-4-yl)cyclopropanecarboxamide
CID 60758370
ethyl 4-[4-(cyclopropanecarbonylamino)piperidin-1-yl]-4-oxobutanoate
CID 60758306
N-[1-(3-phenylpropanoyl)piperidin-4-yl]cyclopropanecarboxamide
CID 110820836
4-[4-[(2-methoxyacetyl)amino]piperidin-1-yl]-4-oxobutanoic acid
CID 54875415
4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-4-oxobutanoic acid
CID 25250198
N-[1-[2-(tert-butylamino)acetyl]piperidin-4-yl]cyclopropanecarboxamide
CID 112730369
5-(4-acetamidopiperidin-1-yl)-5-oxopentanoic acid
CID 113402147
N-[1-[2-(2-methoxyethoxy)acetyl]piperidin-4-yl]cyclopropanecarboxamide
CID 108555122
4-(4-carbamoylpiperidin-1-yl)-4-oxobutanoic acid
CID 2826389
N-[1-(2-hydroxyethyl)piperidin-4-yl]-1-propanoylpiperidine-4-carboxamide
CID 131939521
N-[1-[2-(4-aminophenyl)acetyl]piperidin-4-yl]cyclopropanecarboxamide
CID 119702473
4-(cyclopropanecarbonylamino)-N-(2,2-dimethylpropyl)piperidine-1-carboxamide
CID 110822547

Frequently Asked Questions

What is the IUPAC name of 4-[4-(cyclopropanecarbonylamino)piperidin-1-yl]-4-oxobutanoic acid?
The IUPAC name of 4-[4-(cyclopropanecarbonylamino)piperidin-1-yl]-4-oxobutanoic acid (CID 54875546) is 4-[4-(cyclopropanecarbonylamino)piperidin-1-yl]-4-oxobutanoic acid.
What is the SMILES notation for 4-[4-(cyclopropanecarbonylamino)piperidin-1-yl]-4-oxobutanoic acid?
The canonical SMILES for 4-[4-(cyclopropanecarbonylamino)piperidin-1-yl]-4-oxobutanoic acid is O=C(O)CCC(=O)N1CCC(NC(=O)C2CC2)CC1.
What is the InChIKey of 4-[4-(cyclopropanecarbonylamino)piperidin-1-yl]-4-oxobutanoic acid?
The InChIKey is RNHAIDYCARXHKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4/c16-11(3-4-12(17)18)15-7-5-10(6-8-15)14-13(19)9-1-2-9/h9-10H,1-8H2,(H,14,19)(H,17,18).
What are the key properties of 4-[4-(cyclopropanecarbonylamino)piperidin-1-yl]-4-oxobutanoic acid?
4-[4-(cyclopropanecarbonylamino)piperidin-1-yl]-4-oxobutanoic acid has a molecular weight of 268.31 g/mol, XLogP of 0.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(cyclopropanecarbonylamino)piperidin-1-yl]-4-oxobutanoic acid is sourced from PubChem (CID 54875546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).