3-[1-[ethyl(propan-2-yl)carbamoyl]piperidin-3-yl]butanoic acid

C15H28N2O3 — CID 81047175

IUPAC3-[1-[ethyl(propan-2-yl)carbamoyl]piperidin-3-yl]butanoic acid
SMILESCCN(C(=O)N1CCCC(C(C)CC(=O)O)C1)C(C)C
InChIInChI=1S/C15H28N2O3/c1-5-17(11(2)3)15(20)16-8-6-7-13(10-16)12(4)9-14(18)19/h11-13H,5-10H2,1-4H3,(H,18,19)
InChIKeyPEAJNPCUKVUCQJ-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.66
Rot. Bonds5

About 3-[1-[ethyl(propan-2-yl)carbamoyl]piperidin-3-yl]butanoic acid

3-[1-[ethyl(propan-2-yl)carbamoyl]piperidin-3-yl]butanoic acid (PubChem CID 81047175) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 3-[1-[ethyl(propan-2-yl)carbamoyl]piperidin-3-yl]butanoic acid.

Molecular Properties

Compound Name3-[1-[ethyl(propan-2-yl)carbamoyl]piperidin-3-yl]butanoic acid
PubChem CID81047175
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name3-[1-[ethyl(propan-2-yl)carbamoyl]piperidin-3-yl]butanoic acid
SMILESCCN(C(=O)N1CCCC(C(C)CC(=O)O)C1)C(C)C
InChIInChI=1S/C15H28N2O3/c1-5-17(11(2)3)15(20)16-8-6-7-13(10-16)12(4)9-14(18)19/h11-13H,5-10H2,1-4H3,(H,18,19)
InChIKeyPEAJNPCUKVUCQJ-UHFFFAOYSA-N
XLogP2.66
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[1-[ethyl(propan-2-yl)carbamoyl]piperidin-3-yl]butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[1-[2-hydroxyethyl(propan-2-yl)carbamoyl]piperidin-3-yl]butanoic acid
CID 81048210
2-[1-[ethyl(propan-2-yl)carbamoyl]piperidin-3-yl]acetic acid
CID 62689121
3-[1-[2-(methylamino)acetyl]piperidin-3-yl]butanoic acid
CID 81046132
3-[1-(2,2-difluoroacetyl)piperidin-3-yl]butanoic acid
CID 103513401
3-[1-(2-methylpentan-3-ylcarbamoyl)piperidin-3-yl]butanoic acid
CID 81047521
3-[1-(cyclopentanecarbonyl)piperidin-3-yl]butanoic acid
CID 81046487
3-[1-[(2S)-2-aminopentanoyl]piperidin-3-yl]butanoic acid
CID 103870704
3-[1-(3-ethoxypropanoyl)piperidin-3-yl]butanoic acid
CID 81047214
3-[1-[3-(propan-2-ylamino)propanoyl]piperidin-3-yl]butanoic acid
CID 81046204
3-[1-(1-aminocyclopentanecarbonyl)piperidin-3-yl]butanoic acid
CID 81046430
3-[1-[2-[ethyl(methyl)amino]ethylcarbamoyl]piperidin-3-yl]butanoic acid
CID 81048995
3-[1-[(E)-but-2-enoyl]piperidin-3-yl]butanoic acid
CID 81046628

Frequently Asked Questions

What is the IUPAC name of 3-[1-[ethyl(propan-2-yl)carbamoyl]piperidin-3-yl]butanoic acid?
The IUPAC name of 3-[1-[ethyl(propan-2-yl)carbamoyl]piperidin-3-yl]butanoic acid (CID 81047175) is 3-[1-[ethyl(propan-2-yl)carbamoyl]piperidin-3-yl]butanoic acid.
What is the SMILES notation for 3-[1-[ethyl(propan-2-yl)carbamoyl]piperidin-3-yl]butanoic acid?
The canonical SMILES for 3-[1-[ethyl(propan-2-yl)carbamoyl]piperidin-3-yl]butanoic acid is CCN(C(=O)N1CCCC(C(C)CC(=O)O)C1)C(C)C.
What is the InChIKey of 3-[1-[ethyl(propan-2-yl)carbamoyl]piperidin-3-yl]butanoic acid?
The InChIKey is PEAJNPCUKVUCQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-5-17(11(2)3)15(20)16-8-6-7-13(10-16)12(4)9-14(18)19/h11-13H,5-10H2,1-4H3,(H,18,19).
What are the key properties of 3-[1-[ethyl(propan-2-yl)carbamoyl]piperidin-3-yl]butanoic acid?
3-[1-[ethyl(propan-2-yl)carbamoyl]piperidin-3-yl]butanoic acid has a molecular weight of 284.40 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[ethyl(propan-2-yl)carbamoyl]piperidin-3-yl]butanoic acid is sourced from PubChem (CID 81047175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).