3-[1-[ethyl(propan-2-yl)carbamoyl]piperidin-4-yl]propanoic acid

C14H26N2O3 — CID 62217609

IUPAC3-[1-[ethyl(propan-2-yl)carbamoyl]piperidin-4-yl]propanoic acid
SMILESCCN(C(=O)N1CCC(CCC(=O)O)CC1)C(C)C
InChIInChI=1S/C14H26N2O3/c1-4-16(11(2)3)14(19)15-9-7-12(8-10-15)5-6-13(17)18/h11-12H,4-10H2,1-3H3,(H,17,18)
InChIKeyHPQRHTQJPZISJS-UHFFFAOYSA-N
MW270.37 g/mol
LogP2.41
Rot. Bonds5

About 3-[1-[ethyl(propan-2-yl)carbamoyl]piperidin-4-yl]propanoic acid

3-[1-[ethyl(propan-2-yl)carbamoyl]piperidin-4-yl]propanoic acid (PubChem CID 62217609) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 3-[1-[ethyl(propan-2-yl)carbamoyl]piperidin-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-[ethyl(propan-2-yl)carbamoyl]piperidin-4-yl]propanoic acid
PubChem CID62217609
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name3-[1-[ethyl(propan-2-yl)carbamoyl]piperidin-4-yl]propanoic acid
SMILESCCN(C(=O)N1CCC(CCC(=O)O)CC1)C(C)C
InChIInChI=1S/C14H26N2O3/c1-4-16(11(2)3)14(19)15-9-7-12(8-10-15)5-6-13(17)18/h11-12H,4-10H2,1-3H3,(H,17,18)
InChIKeyHPQRHTQJPZISJS-UHFFFAOYSA-N
XLogP2.41
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-[(2-amino-2-oxoethyl)-propan-2-ylcarbamoyl]piperidin-4-yl]propanoic acid
CID 62210644
3-[1-[1-methoxypropan-2-yl(methyl)carbamoyl]piperidin-4-yl]propanoic acid
CID 62210113
3-[1-(4-amino-3-methylbutanoyl)piperidin-4-yl]propanoic acid
CID 81087927
3-[1-(2-methoxypropanoyl)piperidin-4-yl]propanoic acid
CID 112568653
2-[1-[ethyl(propan-2-yl)carbamoyl]piperidin-3-yl]acetic acid
CID 62689121
3-(1-propan-2-ylsulfonylpiperidin-4-yl)propanoic acid
CID 62217499
3-[1-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]piperidin-4-yl]propanoic acid
CID 62215678
3-[1-(1-chloroethyl)piperidin-4-yl]propanoic acid
CID 89105983
3-[1-(dimethylaminocarbamoyl)piperidin-4-yl]propanoic acid
CID 83018960
3-[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-4-yl]propanoic acid
CID 62215529
4-butyl-N,N-di(propan-2-yl)piperidine-1-carboxamide
CID 22970129
(2S)-2-aminopropanoic acid;N-ethyl-N-propan-2-ylpyrrolidine-1-carboxamide
CID 174538703

Frequently Asked Questions

What is the IUPAC name of 3-[1-[ethyl(propan-2-yl)carbamoyl]piperidin-4-yl]propanoic acid?
The IUPAC name of 3-[1-[ethyl(propan-2-yl)carbamoyl]piperidin-4-yl]propanoic acid (CID 62217609) is 3-[1-[ethyl(propan-2-yl)carbamoyl]piperidin-4-yl]propanoic acid.
What is the SMILES notation for 3-[1-[ethyl(propan-2-yl)carbamoyl]piperidin-4-yl]propanoic acid?
The canonical SMILES for 3-[1-[ethyl(propan-2-yl)carbamoyl]piperidin-4-yl]propanoic acid is CCN(C(=O)N1CCC(CCC(=O)O)CC1)C(C)C.
What is the InChIKey of 3-[1-[ethyl(propan-2-yl)carbamoyl]piperidin-4-yl]propanoic acid?
The InChIKey is HPQRHTQJPZISJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-4-16(11(2)3)14(19)15-9-7-12(8-10-15)5-6-13(17)18/h11-12H,4-10H2,1-3H3,(H,17,18).
What are the key properties of 3-[1-[ethyl(propan-2-yl)carbamoyl]piperidin-4-yl]propanoic acid?
3-[1-[ethyl(propan-2-yl)carbamoyl]piperidin-4-yl]propanoic acid has a molecular weight of 270.37 g/mol, XLogP of 2.41, 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-4-yl]propanoic acid is sourced from PubChem (CID 62217609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).