methyl 4-(3-piperidin-4-ylbutanoylamino)benzoate

C17H24N2O3 — CID 119671385

IUPACmethyl 4-(3-piperidin-4-ylbutanoylamino)benzoate
SMILESCOC(=O)c1ccc(NC(=O)CC(C)C2CCNCC2)cc1
InChIInChI=1S/C17H24N2O3/c1-12(13-7-9-18-10-8-13)11-16(20)19-15-5-3-14(4-6-15)17(21)22-2/h3-6,12-13,18H,7-11H2,1-2H3,(H,19,20)
InChIKeyUTKZJWZPNAELAJ-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.44
Rot. Bonds5

About methyl 4-(3-piperidin-4-ylbutanoylamino)benzoate

methyl 4-(3-piperidin-4-ylbutanoylamino)benzoate (PubChem CID 119671385) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is methyl 4-(3-piperidin-4-ylbutanoylamino)benzoate.

Molecular Properties

Compound Namemethyl 4-(3-piperidin-4-ylbutanoylamino)benzoate
PubChem CID119671385
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Namemethyl 4-(3-piperidin-4-ylbutanoylamino)benzoate
SMILESCOC(=O)c1ccc(NC(=O)CC(C)C2CCNCC2)cc1
InChIInChI=1S/C17H24N2O3/c1-12(13-7-9-18-10-8-13)11-16(20)19-15-5-3-14(4-6-15)17(21)22-2/h3-6,12-13,18H,7-11H2,1-2H3,(H,19,20)
InChIKeyUTKZJWZPNAELAJ-UHFFFAOYSA-N
XLogP2.44
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-methyl-4-(3-piperidin-4-ylbutanoylamino)benzoate;hydrochloride
CID 119775418
N-cyclopropyl-4-(3-piperidin-4-ylbutanoylamino)benzamide
CID 119698553
N-ethyl-4-(3-piperidin-4-ylbutanoylamino)benzamide
CID 119714137
3-piperidin-4-yl-N-(4-propan-2-ylphenyl)butanamide;hydrochloride
CID 119672812
N-[4-(carbamoylamino)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119701454
3-piperidin-4-yl-N-pyridin-4-ylbutanamide
CID 119827125
3-piperidin-4-yl-N-[4-(propan-2-yloxymethyl)phenyl]butanamide;hydrochloride
CID 119742885
methyl 3-[4-(3-piperidin-4-ylbutanoylamino)phenyl]propanoate;hydrochloride
CID 119775698
N-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119885324
N-[2-(4-fluoroanilino)-2-oxoethyl]-3-piperidin-4-ylbutanamide
CID 119758040
2-methyl-4-(3-piperidin-4-ylbutanoylamino)benzamide
CID 119775199
N-cyclohexyl-N-methyl-4-(3-piperidin-4-ylbutanoylamino)benzamide
CID 119743419

Frequently Asked Questions

What is the IUPAC name of methyl 4-(3-piperidin-4-ylbutanoylamino)benzoate?
The IUPAC name of methyl 4-(3-piperidin-4-ylbutanoylamino)benzoate (CID 119671385) is methyl 4-(3-piperidin-4-ylbutanoylamino)benzoate.
What is the SMILES notation for methyl 4-(3-piperidin-4-ylbutanoylamino)benzoate?
The canonical SMILES for methyl 4-(3-piperidin-4-ylbutanoylamino)benzoate is COC(=O)c1ccc(NC(=O)CC(C)C2CCNCC2)cc1.
What is the InChIKey of methyl 4-(3-piperidin-4-ylbutanoylamino)benzoate?
The InChIKey is UTKZJWZPNAELAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-12(13-7-9-18-10-8-13)11-16(20)19-15-5-3-14(4-6-15)17(21)22-2/h3-6,12-13,18H,7-11H2,1-2H3,(H,19,20).
What are the key properties of methyl 4-(3-piperidin-4-ylbutanoylamino)benzoate?
methyl 4-(3-piperidin-4-ylbutanoylamino)benzoate has a molecular weight of 304.39 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(3-piperidin-4-ylbutanoylamino)benzoate is sourced from PubChem (CID 119671385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).