2-[1-[methyl-[2-(methylamino)ethyl]carbamoyl]piperidin-4-yl]acetic acid

C12H23N3O3 — CID 79605780

IUPAC2-[1-[methyl-[2-(methylamino)ethyl]carbamoyl]piperidin-4-yl]acetic acid
SMILESCNCCN(C)C(=O)N1CCC(CC(=O)O)CC1
InChIInChI=1S/C12H23N3O3/c1-13-5-8-14(2)12(18)15-6-3-10(4-7-15)9-11(16)17/h10,13H,3-9H2,1-2H3,(H,16,17)
InChIKeyLHMILFQADHZULY-UHFFFAOYSA-N
MW257.33 g/mol
LogP0.44
Rot. Bonds5

About 2-[1-[methyl-[2-(methylamino)ethyl]carbamoyl]piperidin-4-yl]acetic acid

2-[1-[methyl-[2-(methylamino)ethyl]carbamoyl]piperidin-4-yl]acetic acid (PubChem CID 79605780) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is 2-[1-[methyl-[2-(methylamino)ethyl]carbamoyl]piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[methyl-[2-(methylamino)ethyl]carbamoyl]piperidin-4-yl]acetic acid
PubChem CID79605780
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC Name2-[1-[methyl-[2-(methylamino)ethyl]carbamoyl]piperidin-4-yl]acetic acid
SMILESCNCCN(C)C(=O)N1CCC(CC(=O)O)CC1
InChIInChI=1S/C12H23N3O3/c1-13-5-8-14(2)12(18)15-6-3-10(4-7-15)9-11(16)17/h10,13H,3-9H2,1-2H3,(H,16,17)
InChIKeyLHMILFQADHZULY-UHFFFAOYSA-N
XLogP0.44
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[methyl-[3-(methylamino)-3-oxopropyl]carbamoyl]piperidin-4-yl]acetic acid
CID 106917160
2-[1-[methyl(propan-2-yl)carbamoyl]piperidin-4-yl]acetic acid
CID 79609047
2-[1-[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]piperidin-4-yl]acetic acid
CID 79606572
N,3-dimethyl-N-[2-(methylamino)ethyl]piperidine-1-carboxamide
CID 79163646
2-[1-[2-(methylamino)propanoyl]piperidin-4-yl]acetic acid
CID 79615727
2-[1-[methyl(2-thiophen-2-ylethyl)carbamoyl]piperidin-4-yl]acetic acid
CID 79609917
2-[1-[cyclopropylmethyl(propyl)carbamoyl]piperidin-4-yl]acetic acid
CID 79606564
2-[1-[methyl(2-propan-2-yloxyethyl)carbamoyl]pyrrolidin-3-yl]acetic acid
CID 81058040
2-[1-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoyl]piperidin-4-yl]acetic acid
CID 103112547
2-[1-[cyclopropylmethyl(ethyl)carbamoyl]piperidin-4-yl]acetic acid
CID 79606749
2-[1-[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]pyrrolidin-3-yl]acetic acid
CID 79379381
2-[1-(propylcarbamoyl)piperidin-4-yl]acetic acid
CID 29080141

Frequently Asked Questions

What is the IUPAC name of 2-[1-[methyl-[2-(methylamino)ethyl]carbamoyl]piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-[methyl-[2-(methylamino)ethyl]carbamoyl]piperidin-4-yl]acetic acid (CID 79605780) is 2-[1-[methyl-[2-(methylamino)ethyl]carbamoyl]piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-[methyl-[2-(methylamino)ethyl]carbamoyl]piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-[methyl-[2-(methylamino)ethyl]carbamoyl]piperidin-4-yl]acetic acid is CNCCN(C)C(=O)N1CCC(CC(=O)O)CC1.
What is the InChIKey of 2-[1-[methyl-[2-(methylamino)ethyl]carbamoyl]piperidin-4-yl]acetic acid?
The InChIKey is LHMILFQADHZULY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3/c1-13-5-8-14(2)12(18)15-6-3-10(4-7-15)9-11(16)17/h10,13H,3-9H2,1-2H3,(H,16,17).
What are the key properties of 2-[1-[methyl-[2-(methylamino)ethyl]carbamoyl]piperidin-4-yl]acetic acid?
2-[1-[methyl-[2-(methylamino)ethyl]carbamoyl]piperidin-4-yl]acetic acid has a molecular weight of 257.33 g/mol, XLogP of 0.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[methyl-[2-(methylamino)ethyl]carbamoyl]piperidin-4-yl]acetic acid is sourced from PubChem (CID 79605780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).