3-[1-[2-[ethyl(methyl)amino]ethylcarbamoyl]piperidin-3-yl]butanoic acid

C15H29N3O3 — CID 81048995

IUPAC3-[1-[2-[ethyl(methyl)amino]ethylcarbamoyl]piperidin-3-yl]butanoic acid
SMILESCCN(C)CCNC(=O)N1CCCC(C(C)CC(=O)O)C1
InChIInChI=1S/C15H29N3O3/c1-4-17(3)9-7-16-15(21)18-8-5-6-13(11-18)12(2)10-14(19)20/h12-13H,4-11H2,1-3H3,(H,16,21)(H,19,20)
InChIKeyURFKVHKFJNQPER-UHFFFAOYSA-N
MW299.42 g/mol
LogP1.47
Rot. Bonds7

About 3-[1-[2-[ethyl(methyl)amino]ethylcarbamoyl]piperidin-3-yl]butanoic acid

3-[1-[2-[ethyl(methyl)amino]ethylcarbamoyl]piperidin-3-yl]butanoic acid (PubChem CID 81048995) has the molecular formula C15H29N3O3 and a molecular weight of 299.42 g/mol. Its IUPAC name is 3-[1-[2-[ethyl(methyl)amino]ethylcarbamoyl]piperidin-3-yl]butanoic acid.

Molecular Properties

Compound Name3-[1-[2-[ethyl(methyl)amino]ethylcarbamoyl]piperidin-3-yl]butanoic acid
PubChem CID81048995
Molecular FormulaC15H29N3O3
Molecular Weight299.42 g/mol
Exact Mass299.22
IUPAC Name3-[1-[2-[ethyl(methyl)amino]ethylcarbamoyl]piperidin-3-yl]butanoic acid
SMILESCCN(C)CCNC(=O)N1CCCC(C(C)CC(=O)O)C1
InChIInChI=1S/C15H29N3O3/c1-4-17(3)9-7-16-15(21)18-8-5-6-13(11-18)12(2)10-14(19)20/h12-13H,4-11H2,1-3H3,(H,16,21)(H,19,20)
InChIKeyURFKVHKFJNQPER-UHFFFAOYSA-N
XLogP1.47
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(3-ethoxypropylcarbamoyl)piperidin-3-yl]butanoic acid
CID 81048987
3-[1-(2-methylpropylcarbamoyl)piperidin-3-yl]butanoic acid
CID 81046948
3-[1-(2,2-dimethylpropylcarbamoyl)piperidin-3-yl]butanoic acid
CID 81046077
3-[1-(2-methoxypropylcarbamoyl)piperidin-3-yl]butanoic acid
CID 102699639
3-[1-(2-methylpentan-3-ylcarbamoyl)piperidin-3-yl]butanoic acid
CID 81047521
3-[1-[(2-methyl-3-methylsulfanylpropyl)carbamoyl]piperidin-3-yl]butanoic acid
CID 81049909
3-[1-[ethyl(propan-2-yl)carbamoyl]piperidin-3-yl]butanoic acid
CID 81047175
3-[1-[2-(methylamino)acetyl]piperidin-3-yl]butanoic acid
CID 81046132
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-[2-hydroxyethyl(propan-2-yl)carbamoyl]piperidin-3-yl]butanoic acid
CID 81048210

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-[ethyl(methyl)amino]ethylcarbamoyl]piperidin-3-yl]butanoic acid?
The IUPAC name of 3-[1-[2-[ethyl(methyl)amino]ethylcarbamoyl]piperidin-3-yl]butanoic acid (CID 81048995) is 3-[1-[2-[ethyl(methyl)amino]ethylcarbamoyl]piperidin-3-yl]butanoic acid.
What is the SMILES notation for 3-[1-[2-[ethyl(methyl)amino]ethylcarbamoyl]piperidin-3-yl]butanoic acid?
The canonical SMILES for 3-[1-[2-[ethyl(methyl)amino]ethylcarbamoyl]piperidin-3-yl]butanoic acid is CCN(C)CCNC(=O)N1CCCC(C(C)CC(=O)O)C1.
What is the InChIKey of 3-[1-[2-[ethyl(methyl)amino]ethylcarbamoyl]piperidin-3-yl]butanoic acid?
The InChIKey is URFKVHKFJNQPER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O3/c1-4-17(3)9-7-16-15(21)18-8-5-6-13(11-18)12(2)10-14(19)20/h12-13H,4-11H2,1-3H3,(H,16,21)(H,19,20).
What are the key properties of 3-[1-[2-[ethyl(methyl)amino]ethylcarbamoyl]piperidin-3-yl]butanoic acid?
3-[1-[2-[ethyl(methyl)amino]ethylcarbamoyl]piperidin-3-yl]butanoic acid has a molecular weight of 299.42 g/mol, XLogP of 1.47, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-[ethyl(methyl)amino]ethylcarbamoyl]piperidin-3-yl]butanoic acid is sourced from PubChem (CID 81048995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).