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

C14H26N2O3 — CID 81046948

IUPAC3-[1-(2-methylpropylcarbamoyl)piperidin-3-yl]butanoic acid
SMILESCC(C)CNC(=O)N1CCCC(C(C)CC(=O)O)C1
InChIInChI=1S/C14H26N2O3/c1-10(2)8-15-14(19)16-6-4-5-12(9-16)11(3)7-13(17)18/h10-12H,4-9H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyKVPOWANSRQCHPP-UHFFFAOYSA-N
MW270.37 g/mol
LogP2.17
Rot. Bonds5

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

3-[1-(2-methylpropylcarbamoyl)piperidin-3-yl]butanoic acid (PubChem CID 81046948) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 3-[1-(2-methylpropylcarbamoyl)piperidin-3-yl]butanoic acid.

Molecular Properties

Compound Name3-[1-(2-methylpropylcarbamoyl)piperidin-3-yl]butanoic acid
PubChem CID81046948
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name3-[1-(2-methylpropylcarbamoyl)piperidin-3-yl]butanoic acid
SMILESCC(C)CNC(=O)N1CCCC(C(C)CC(=O)O)C1
InChIInChI=1S/C14H26N2O3/c1-10(2)8-15-14(19)16-6-4-5-12(9-16)11(3)7-13(17)18/h10-12H,4-9H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyKVPOWANSRQCHPP-UHFFFAOYSA-N
XLogP2.17
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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-(2,2-dimethylpropylcarbamoyl)piperidin-3-yl]butanoic acid
CID 81046077
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-(methylamino)acetyl]piperidin-3-yl]butanoic acid
CID 81046132
3-[1-(2,2-difluoroacetyl)piperidin-3-yl]butanoic acid
CID 103513401
(3R)-1-(2-methylpropylcarbamoyl)piperidine-3-carboxylic acid
CID 28511990
3-[1-(1,3-thiazol-2-ylmethylcarbamoyl)piperidin-3-yl]butanoic acid
CID 81047677
3-[1-(cyclopentanecarbonyl)piperidin-3-yl]butanoic acid
CID 81046487
3-[1-(thiolan-3-ylcarbamoyl)piperidin-3-yl]butanoic acid
CID 103064197

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-methylpropylcarbamoyl)piperidin-3-yl]butanoic acid?
The IUPAC name of 3-[1-(2-methylpropylcarbamoyl)piperidin-3-yl]butanoic acid (CID 81046948) is 3-[1-(2-methylpropylcarbamoyl)piperidin-3-yl]butanoic acid.
What is the SMILES notation for 3-[1-(2-methylpropylcarbamoyl)piperidin-3-yl]butanoic acid?
The canonical SMILES for 3-[1-(2-methylpropylcarbamoyl)piperidin-3-yl]butanoic acid is CC(C)CNC(=O)N1CCCC(C(C)CC(=O)O)C1.
What is the InChIKey of 3-[1-(2-methylpropylcarbamoyl)piperidin-3-yl]butanoic acid?
The InChIKey is KVPOWANSRQCHPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-10(2)8-15-14(19)16-6-4-5-12(9-16)11(3)7-13(17)18/h10-12H,4-9H2,1-3H3,(H,15,19)(H,17,18).
What are the key properties of 3-[1-(2-methylpropylcarbamoyl)piperidin-3-yl]butanoic acid?
3-[1-(2-methylpropylcarbamoyl)piperidin-3-yl]butanoic acid has a molecular weight of 270.37 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-methylpropylcarbamoyl)piperidin-3-yl]butanoic acid is sourced from PubChem (CID 81046948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).