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

C14H26N2O3 — CID 119684765

IUPACmethyl 4-(3-piperidin-4-ylbutanoylamino)butanoate
SMILESCOC(=O)CCCNC(=O)CC(C)C1CCNCC1
InChIInChI=1S/C14H26N2O3/c1-11(12-5-8-15-9-6-12)10-13(17)16-7-3-4-14(18)19-2/h11-12,15H,3-10H2,1-2H3,(H,16,17)
InChIKeyONTGBFKSWHOKDD-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.08
Rot. Bonds7

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

methyl 4-(3-piperidin-4-ylbutanoylamino)butanoate (PubChem CID 119684765) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is methyl 4-(3-piperidin-4-ylbutanoylamino)butanoate.

Molecular Properties

Compound Namemethyl 4-(3-piperidin-4-ylbutanoylamino)butanoate
PubChem CID119684765
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Namemethyl 4-(3-piperidin-4-ylbutanoylamino)butanoate
SMILESCOC(=O)CCCNC(=O)CC(C)C1CCNCC1
InChIInChI=1S/C14H26N2O3/c1-11(12-5-8-15-9-6-12)10-13(17)16-7-3-4-14(18)19-2/h11-12,15H,3-10H2,1-2H3,(H,16,17)
InChIKeyONTGBFKSWHOKDD-UHFFFAOYSA-N
XLogP1.08
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(2-methoxyethoxy)propyl]-3-piperidin-4-ylbutanamide
CID 119693914
N-(3-ethoxypropyl)-3-piperidin-4-ylbutanamide
CID 119675581
N-(2-methoxyethyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119669583
N-(3-ethoxypropyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119675580
N-[3-(4-methylpiperazin-1-yl)propyl]-3-piperidin-4-ylbutanamide
CID 119901093
N-[4-(4-chloroanilino)-4-oxobutyl]-3-piperidin-4-ylbutanamide
CID 119738720
3-piperidin-4-yl-N-[2-(propan-2-ylsulfamoyl)ethyl]butanamide
CID 119758906
N-(2,3-dimethylbutyl)-3-piperidin-4-ylbutanamide
CID 119796514
N-[3-(3,4-dimethoxyphenyl)propyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119754667
N-[3-(3-methoxyphenoxy)propyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119797678
N-(cyclooctylmethyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119741883
N-[3-(oxolan-3-ylmethoxy)propyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119800061

Frequently Asked Questions

What is the IUPAC name of methyl 4-(3-piperidin-4-ylbutanoylamino)butanoate?
The IUPAC name of methyl 4-(3-piperidin-4-ylbutanoylamino)butanoate (CID 119684765) is methyl 4-(3-piperidin-4-ylbutanoylamino)butanoate.
What is the SMILES notation for methyl 4-(3-piperidin-4-ylbutanoylamino)butanoate?
The canonical SMILES for methyl 4-(3-piperidin-4-ylbutanoylamino)butanoate is COC(=O)CCCNC(=O)CC(C)C1CCNCC1.
What is the InChIKey of methyl 4-(3-piperidin-4-ylbutanoylamino)butanoate?
The InChIKey is ONTGBFKSWHOKDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-11(12-5-8-15-9-6-12)10-13(17)16-7-3-4-14(18)19-2/h11-12,15H,3-10H2,1-2H3,(H,16,17).
What are the key properties of methyl 4-(3-piperidin-4-ylbutanoylamino)butanoate?
methyl 4-(3-piperidin-4-ylbutanoylamino)butanoate has a molecular weight of 270.37 g/mol, XLogP of 1.08, 7 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)butanoate is sourced from PubChem (CID 119684765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).