1-[3-(2,2-dimethylpropanoylamino)propanoyl]piperidine-4-carboxylic acid

C14H24N2O4 — CID 43170437

IUPAC1-[3-(2,2-dimethylpropanoylamino)propanoyl]piperidine-4-carboxylic acid
SMILESCC(C)(C)C(=O)NCCC(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C14H24N2O4/c1-14(2,3)13(20)15-7-4-11(17)16-8-5-10(6-9-16)12(18)19/h10H,4-9H2,1-3H3,(H,15,20)(H,18,19)
InChIKeyCPZFBVRXFSRCOM-UHFFFAOYSA-N
MW284.36 g/mol
LogP0.86
Rot. Bonds4

About 1-[3-(2,2-dimethylpropanoylamino)propanoyl]piperidine-4-carboxylic acid

1-[3-(2,2-dimethylpropanoylamino)propanoyl]piperidine-4-carboxylic acid (PubChem CID 43170437) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-[3-(2,2-dimethylpropanoylamino)propanoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[3-(2,2-dimethylpropanoylamino)propanoyl]piperidine-4-carboxylic acid
PubChem CID43170437
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name1-[3-(2,2-dimethylpropanoylamino)propanoyl]piperidine-4-carboxylic acid
SMILESCC(C)(C)C(=O)NCCC(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C14H24N2O4/c1-14(2,3)13(20)15-7-4-11(17)16-8-5-10(6-9-16)12(18)19/h10H,4-9H2,1-3H3,(H,15,20)(H,18,19)
InChIKeyCPZFBVRXFSRCOM-UHFFFAOYSA-N
XLogP0.86
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(2,2-dimethylpropanoylamino)butanoyl]pyrrolidine-3-carboxylic acid
CID 63031976
N-[3-[4-(1-aminoethyl)piperidin-1-yl]-3-oxopropyl]-2,2-dimethylpropanamide
CID 119517350
N-[3-[4-(1-aminoethyl)piperidin-1-yl]-3-oxopropyl]-2,2-dimethylpropanamide;hydrochloride
CID 119517349
1-[3-[(4-tert-butylbenzoyl)amino]propanoyl]piperidine-4-carboxylic acid
CID 119349224
1-[3-[(2-methylcyclopropanecarbonyl)amino]propanoyl]piperidine-4-carboxylic acid
CID 43354240
2-[1-[3-(2,2-dimethylpropanoylamino)propanoyl]piperidin-3-yl]acetic acid
CID 62689900
methyl 1-[3-(2,2-dimethylpropanoylamino)propanoyl]piperidine-3-carboxylate
CID 78919240
N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-2,2-dimethylpropanamide
CID 37165106
1-[3-(1-adamantylcarbamoylamino)propanoyl]piperidine-4-carboxylic acid
CID 119166668
1-(4-cyclohexylbutanoyl)piperidine-4-carboxylic acid
CID 43354138
N-[3-[(3R,4R)-3-amino-4-(4-fluorophenyl)piperidin-1-yl]-3-oxopropyl]-2,2-dimethylpropanamide
CID 125144692
1-pent-4-ynoylpiperidine-4-carboxylic acid
CID 103840880

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,2-dimethylpropanoylamino)propanoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[3-(2,2-dimethylpropanoylamino)propanoyl]piperidine-4-carboxylic acid (CID 43170437) is 1-[3-(2,2-dimethylpropanoylamino)propanoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[3-(2,2-dimethylpropanoylamino)propanoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[3-(2,2-dimethylpropanoylamino)propanoyl]piperidine-4-carboxylic acid is CC(C)(C)C(=O)NCCC(=O)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-[3-(2,2-dimethylpropanoylamino)propanoyl]piperidine-4-carboxylic acid?
The InChIKey is CPZFBVRXFSRCOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-14(2,3)13(20)15-7-4-11(17)16-8-5-10(6-9-16)12(18)19/h10H,4-9H2,1-3H3,(H,15,20)(H,18,19).
What are the key properties of 1-[3-(2,2-dimethylpropanoylamino)propanoyl]piperidine-4-carboxylic acid?
1-[3-(2,2-dimethylpropanoylamino)propanoyl]piperidine-4-carboxylic acid has a molecular weight of 284.36 g/mol, XLogP of 0.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,2-dimethylpropanoylamino)propanoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 43170437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).