3-[1-(2,2-dimethylpropylcarbamoyl)piperidin-3-yl]butanoic acid

C15H28N2O3 — CID 81046077

IUPAC3-[1-(2,2-dimethylpropylcarbamoyl)piperidin-3-yl]butanoic acid
SMILESCC(CC(=O)O)C1CCCN(C(=O)NCC(C)(C)C)C1
InChIInChI=1S/C15H28N2O3/c1-11(8-13(18)19)12-6-5-7-17(9-12)14(20)16-10-15(2,3)4/h11-12H,5-10H2,1-4H3,(H,16,20)(H,18,19)
InChIKeyBXOOUTUUDDDHEJ-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.56
Rot. Bonds4

About 3-[1-(2,2-dimethylpropylcarbamoyl)piperidin-3-yl]butanoic acid

3-[1-(2,2-dimethylpropylcarbamoyl)piperidin-3-yl]butanoic acid (PubChem CID 81046077) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 3-[1-(2,2-dimethylpropylcarbamoyl)piperidin-3-yl]butanoic acid.

Molecular Properties

Compound Name3-[1-(2,2-dimethylpropylcarbamoyl)piperidin-3-yl]butanoic acid
PubChem CID81046077
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name3-[1-(2,2-dimethylpropylcarbamoyl)piperidin-3-yl]butanoic acid
SMILESCC(CC(=O)O)C1CCCN(C(=O)NCC(C)(C)C)C1
InChIInChI=1S/C15H28N2O3/c1-11(8-13(18)19)12-6-5-7-17(9-12)14(20)16-10-15(2,3)4/h11-12H,5-10H2,1-4H3,(H,16,20)(H,18,19)
InChIKeyBXOOUTUUDDDHEJ-UHFFFAOYSA-N
XLogP2.56
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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-methyl-3-methylsulfanylpropyl)carbamoyl]piperidin-3-yl]butanoic acid
CID 81049909
3-[1-[2-(methylamino)acetyl]piperidin-3-yl]butanoic acid
CID 81046132
3-[1-(3-ethoxypropylcarbamoyl)piperidin-3-yl]butanoic acid
CID 81048987
3-[1-[2-[ethyl(methyl)amino]ethylcarbamoyl]piperidin-3-yl]butanoic acid
CID 81048995
3-[1-(2-methylpentan-3-ylcarbamoyl)piperidin-3-yl]butanoic acid
CID 81047521
3-[1-(2-amino-3,3-dimethylbutanoyl)piperidin-3-yl]butanoic acid
CID 115867296
3-[1-[3-(propan-2-ylamino)propanoyl]piperidin-3-yl]butanoic acid
CID 81046204
3-[1-(2,2-difluoroacetyl)piperidin-3-yl]butanoic acid
CID 103513401
3-[1-(1,3-thiazol-2-ylmethylcarbamoyl)piperidin-3-yl]butanoic acid
CID 81047677
3-[1-(cyclopentanecarbonyl)piperidin-3-yl]butanoic acid
CID 81046487

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,2-dimethylpropylcarbamoyl)piperidin-3-yl]butanoic acid?
The IUPAC name of 3-[1-(2,2-dimethylpropylcarbamoyl)piperidin-3-yl]butanoic acid (CID 81046077) is 3-[1-(2,2-dimethylpropylcarbamoyl)piperidin-3-yl]butanoic acid.
What is the SMILES notation for 3-[1-(2,2-dimethylpropylcarbamoyl)piperidin-3-yl]butanoic acid?
The canonical SMILES for 3-[1-(2,2-dimethylpropylcarbamoyl)piperidin-3-yl]butanoic acid is CC(CC(=O)O)C1CCCN(C(=O)NCC(C)(C)C)C1.
What is the InChIKey of 3-[1-(2,2-dimethylpropylcarbamoyl)piperidin-3-yl]butanoic acid?
The InChIKey is BXOOUTUUDDDHEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-11(8-13(18)19)12-6-5-7-17(9-12)14(20)16-10-15(2,3)4/h11-12H,5-10H2,1-4H3,(H,16,20)(H,18,19).
What are the key properties of 3-[1-(2,2-dimethylpropylcarbamoyl)piperidin-3-yl]butanoic acid?
3-[1-(2,2-dimethylpropylcarbamoyl)piperidin-3-yl]butanoic acid has a molecular weight of 284.40 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,2-dimethylpropylcarbamoyl)piperidin-3-yl]butanoic acid is sourced from PubChem (CID 81046077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).