3-[1-[3-methoxypropyl(methyl)carbamoyl]piperidin-3-yl]butanoic acid

C15H28N2O4 — CID 81049194

IUPAC3-[1-[3-methoxypropyl(methyl)carbamoyl]piperidin-3-yl]butanoic acid
SMILESCOCCCN(C)C(=O)N1CCCC(C(C)CC(=O)O)C1
InChIInChI=1S/C15H28N2O4/c1-12(10-14(18)19)13-6-4-8-17(11-13)15(20)16(2)7-5-9-21-3/h12-13H,4-11H2,1-3H3,(H,18,19)
InChIKeyIPCNYOFRRCVEEE-UHFFFAOYSA-N
MW300.40 g/mol
LogP1.90
Rot. Bonds7

About 3-[1-[3-methoxypropyl(methyl)carbamoyl]piperidin-3-yl]butanoic acid

3-[1-[3-methoxypropyl(methyl)carbamoyl]piperidin-3-yl]butanoic acid (PubChem CID 81049194) has the molecular formula C15H28N2O4 and a molecular weight of 300.40 g/mol. Its IUPAC name is 3-[1-[3-methoxypropyl(methyl)carbamoyl]piperidin-3-yl]butanoic acid.

Molecular Properties

Compound Name3-[1-[3-methoxypropyl(methyl)carbamoyl]piperidin-3-yl]butanoic acid
PubChem CID81049194
Molecular FormulaC15H28N2O4
Molecular Weight300.40 g/mol
Exact Mass300.20
IUPAC Name3-[1-[3-methoxypropyl(methyl)carbamoyl]piperidin-3-yl]butanoic acid
SMILESCOCCCN(C)C(=O)N1CCCC(C(C)CC(=O)O)C1
InChIInChI=1S/C15H28N2O4/c1-12(10-14(18)19)13-6-4-8-17(11-13)15(20)16(2)7-5-9-21-3/h12-13H,4-11H2,1-3H3,(H,18,19)
InChIKeyIPCNYOFRRCVEEE-UHFFFAOYSA-N
XLogP1.90
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 51.90
H-Bond Donors ≤ 51
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-(4-methoxybutanoyl)piperidin-3-yl]butanoic acid
CID 81046195
3-[1-[2-hydroxyethyl(propan-2-yl)carbamoyl]piperidin-3-yl]butanoic acid
CID 81048210
3-[1-[ethyl(propan-2-yl)carbamoyl]piperidin-3-yl]butanoic acid
CID 81047175
3-[1-(2,2-difluoroacetyl)piperidin-3-yl]butanoic acid
CID 103513401
3-[1-[2-(2-methoxyethoxy)ethyl]piperidin-3-yl]butanoic acid
CID 81046673
3-[1-(cyclopentanecarbonyl)piperidin-3-yl]butanoic acid
CID 81046487
3-[1-[methyl(oxolan-3-yl)carbamoyl]piperidin-3-yl]butanoic acid
CID 82731394
3-[1-(3-ethoxypropanoyl)piperidin-3-yl]butanoic acid
CID 81047214
3-[1-(2-methoxyethylsulfonyl)piperidin-3-yl]butanoic acid
CID 81046421
3-[1-[2-(methylamino)acetyl]piperidin-3-yl]butanoic acid
CID 81046132
3-[1-(1-aminocyclopentanecarbonyl)piperidin-3-yl]butanoic acid
CID 81046430
3-[1-(2-methoxypropylcarbamoyl)piperidin-3-yl]butanoic acid
CID 102699639

Frequently Asked Questions

What is the IUPAC name of 3-[1-[3-methoxypropyl(methyl)carbamoyl]piperidin-3-yl]butanoic acid?
The IUPAC name of 3-[1-[3-methoxypropyl(methyl)carbamoyl]piperidin-3-yl]butanoic acid (CID 81049194) is 3-[1-[3-methoxypropyl(methyl)carbamoyl]piperidin-3-yl]butanoic acid.
What is the SMILES notation for 3-[1-[3-methoxypropyl(methyl)carbamoyl]piperidin-3-yl]butanoic acid?
The canonical SMILES for 3-[1-[3-methoxypropyl(methyl)carbamoyl]piperidin-3-yl]butanoic acid is COCCCN(C)C(=O)N1CCCC(C(C)CC(=O)O)C1.
What is the InChIKey of 3-[1-[3-methoxypropyl(methyl)carbamoyl]piperidin-3-yl]butanoic acid?
The InChIKey is IPCNYOFRRCVEEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O4/c1-12(10-14(18)19)13-6-4-8-17(11-13)15(20)16(2)7-5-9-21-3/h12-13H,4-11H2,1-3H3,(H,18,19).
What are the key properties of 3-[1-[3-methoxypropyl(methyl)carbamoyl]piperidin-3-yl]butanoic acid?
3-[1-[3-methoxypropyl(methyl)carbamoyl]piperidin-3-yl]butanoic acid has a molecular weight of 300.40 g/mol, XLogP of 1.90, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[3-methoxypropyl(methyl)carbamoyl]piperidin-3-yl]butanoic acid is sourced from PubChem (CID 81049194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).