3-[1-(3-ethoxypropylcarbamoyl)piperidin-3-yl]butanoic acid

C15H28N2O4 — CID 81048987

IUPAC3-[1-(3-ethoxypropylcarbamoyl)piperidin-3-yl]butanoic acid
SMILESCCOCCCNC(=O)N1CCCC(C(C)CC(=O)O)C1
InChIInChI=1S/C15H28N2O4/c1-3-21-9-5-7-16-15(20)17-8-4-6-13(11-17)12(2)10-14(18)19/h12-13H,3-11H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyNUZGALGDBOAKEL-UHFFFAOYSA-N
MW300.40 g/mol
LogP1.95
Rot. Bonds8

About 3-[1-(3-ethoxypropylcarbamoyl)piperidin-3-yl]butanoic acid

3-[1-(3-ethoxypropylcarbamoyl)piperidin-3-yl]butanoic acid (PubChem CID 81048987) has the molecular formula C15H28N2O4 and a molecular weight of 300.40 g/mol. Its IUPAC name is 3-[1-(3-ethoxypropylcarbamoyl)piperidin-3-yl]butanoic acid.

Molecular Properties

Compound Name3-[1-(3-ethoxypropylcarbamoyl)piperidin-3-yl]butanoic acid
PubChem CID81048987
Molecular FormulaC15H28N2O4
Molecular Weight300.40 g/mol
Exact Mass300.20
IUPAC Name3-[1-(3-ethoxypropylcarbamoyl)piperidin-3-yl]butanoic acid
SMILESCCOCCCNC(=O)N1CCCC(C(C)CC(=O)O)C1
InChIInChI=1S/C15H28N2O4/c1-3-21-9-5-7-16-15(20)17-8-4-6-13(11-17)12(2)10-14(18)19/h12-13H,3-11H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyNUZGALGDBOAKEL-UHFFFAOYSA-N
XLogP1.95
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[1-(3-ethoxypropanoyl)piperidin-3-yl]butanoic acid
CID 81047214
3-[1-[2-[ethyl(methyl)amino]ethylcarbamoyl]piperidin-3-yl]butanoic acid
CID 81048995
3-[1-(2-methylpropylcarbamoyl)piperidin-3-yl]butanoic acid
CID 81046948
3-[1-(2-methoxypropylcarbamoyl)piperidin-3-yl]butanoic acid
CID 102699639
3-[1-(2,2-dimethylpropylcarbamoyl)piperidin-3-yl]butanoic acid
CID 81046077
3-[1-(2-methylpentan-3-ylcarbamoyl)piperidin-3-yl]butanoic acid
CID 81047521
3-[1-[(2-methyl-3-methylsulfanylpropyl)carbamoyl]piperidin-3-yl]butanoic acid
CID 81049909
3-methyl-N-(3-propan-2-yloxypropyl)piperidine-1-carboxamide
CID 86811915
3-[1-(1,3-thiazol-2-ylmethylcarbamoyl)piperidin-3-yl]butanoic acid
CID 81047677
3-[1-(4-methoxybutanoyl)piperidin-3-yl]butanoic acid
CID 81046195
3-[1-[2-(methylamino)acetyl]piperidin-3-yl]butanoic acid
CID 81046132
3-[1-[3-(propan-2-ylamino)propanoyl]piperidin-3-yl]butanoic acid
CID 81046204

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-ethoxypropylcarbamoyl)piperidin-3-yl]butanoic acid?
The IUPAC name of 3-[1-(3-ethoxypropylcarbamoyl)piperidin-3-yl]butanoic acid (CID 81048987) is 3-[1-(3-ethoxypropylcarbamoyl)piperidin-3-yl]butanoic acid.
What is the SMILES notation for 3-[1-(3-ethoxypropylcarbamoyl)piperidin-3-yl]butanoic acid?
The canonical SMILES for 3-[1-(3-ethoxypropylcarbamoyl)piperidin-3-yl]butanoic acid is CCOCCCNC(=O)N1CCCC(C(C)CC(=O)O)C1.
What is the InChIKey of 3-[1-(3-ethoxypropylcarbamoyl)piperidin-3-yl]butanoic acid?
The InChIKey is NUZGALGDBOAKEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O4/c1-3-21-9-5-7-16-15(20)17-8-4-6-13(11-17)12(2)10-14(18)19/h12-13H,3-11H2,1-2H3,(H,16,20)(H,18,19).
What are the key properties of 3-[1-(3-ethoxypropylcarbamoyl)piperidin-3-yl]butanoic acid?
3-[1-(3-ethoxypropylcarbamoyl)piperidin-3-yl]butanoic acid has a molecular weight of 300.40 g/mol, XLogP of 1.95, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-ethoxypropylcarbamoyl)piperidin-3-yl]butanoic acid is sourced from PubChem (CID 81048987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).