2-[1-(4,4-dimethylpentanoyl)piperidin-4-yl]acetic acid

C14H25NO3 — CID 119178332

IUPAC2-[1-(4,4-dimethylpentanoyl)piperidin-4-yl]acetic acid
SMILESCC(C)(C)CCC(=O)N1CCC(CC(=O)O)CC1
InChIInChI=1S/C14H25NO3/c1-14(2,3)7-4-12(16)15-8-5-11(6-9-15)10-13(17)18/h11H,4-10H2,1-3H3,(H,17,18)
InChIKeyDFROAYVINRSKRO-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.53
Rot. Bonds4

About 2-[1-(4,4-dimethylpentanoyl)piperidin-4-yl]acetic acid

2-[1-(4,4-dimethylpentanoyl)piperidin-4-yl]acetic acid (PubChem CID 119178332) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-[1-(4,4-dimethylpentanoyl)piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(4,4-dimethylpentanoyl)piperidin-4-yl]acetic acid
PubChem CID119178332
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name2-[1-(4,4-dimethylpentanoyl)piperidin-4-yl]acetic acid
SMILESCC(C)(C)CCC(=O)N1CCC(CC(=O)O)CC1
InChIInChI=1S/C14H25NO3/c1-14(2,3)7-4-12(16)15-8-5-11(6-9-15)10-13(17)18/h11H,4-10H2,1-3H3,(H,17,18)
InChIKeyDFROAYVINRSKRO-UHFFFAOYSA-N
XLogP2.53
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4,4-dimethyl-1-(4-methylpiperidin-1-yl)pentan-1-one
CID 70915057
2-[1-(3-methoxypropanoyl)piperidin-4-yl]acetic acid
CID 79615303
1-(4,4-dimethylpentanoyl)piperidine-4-carboxamide
CID 119137408
2-[1-(4-ethoxy-4-oxobutanoyl)piperidin-4-yl]acetic acid
CID 79615731
1-[4-(ethylaminomethyl)piperidin-1-yl]-5,5-dimethylhexan-1-one
CID 119648376
3-[1-(2-cyclohexylacetyl)piperidin-4-yl]propanoic acid
CID 62217126
2-[1-(3-amino-2,2-dimethylpropanoyl)piperidin-4-yl]acetic acid
CID 113307689
4-[4-(2-amino-2-oxoethyl)piperidin-1-yl]-4-oxobutanoic acid
CID 54876368
2-[1-(2-phenylacetyl)piperidin-4-yl]acetic acid
CID 28997512
2-[1-[2-(propylamino)acetyl]piperidin-4-yl]acetic acid
CID 79615592
1-(3-aminopiperidin-1-yl)-4,4-dimethylpentan-1-one
CID 115277222
1-[4-(2-chloroethoxy)piperidin-1-yl]-4,4-dimethylpentan-1-one
CID 114212917

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4,4-dimethylpentanoyl)piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-(4,4-dimethylpentanoyl)piperidin-4-yl]acetic acid (CID 119178332) is 2-[1-(4,4-dimethylpentanoyl)piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-(4,4-dimethylpentanoyl)piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-(4,4-dimethylpentanoyl)piperidin-4-yl]acetic acid is CC(C)(C)CCC(=O)N1CCC(CC(=O)O)CC1.
What is the InChIKey of 2-[1-(4,4-dimethylpentanoyl)piperidin-4-yl]acetic acid?
The InChIKey is DFROAYVINRSKRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-14(2,3)7-4-12(16)15-8-5-11(6-9-15)10-13(17)18/h11H,4-10H2,1-3H3,(H,17,18).
What are the key properties of 2-[1-(4,4-dimethylpentanoyl)piperidin-4-yl]acetic acid?
2-[1-(4,4-dimethylpentanoyl)piperidin-4-yl]acetic acid has a molecular weight of 255.36 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4,4-dimethylpentanoyl)piperidin-4-yl]acetic acid is sourced from PubChem (CID 119178332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).