methane;2-[4-[methyl(propyl)carbamoyl]piperidin-1-yl]acetic acid

C13H26N2O3 — CID 142231672

IUPACmethane;2-[4-[methyl(propyl)carbamoyl]piperidin-1-yl]acetic acid
SMILESC.CCCN(C)C(=O)C1CCN(CC(=O)O)CC1
InChIInChI=1S/C12H22N2O3.CH4/c1-3-6-13(2)12(17)10-4-7-14(8-5-10)9-11(15)16;/h10H,3-9H2,1-2H3,(H,15,16);1H4
InChIKeyKGPSIXHIDAEYHW-UHFFFAOYSA-N
MW258.36 g/mol
LogP1.29
Rot. Bonds5

About methane;2-[4-[methyl(propyl)carbamoyl]piperidin-1-yl]acetic acid

methane;2-[4-[methyl(propyl)carbamoyl]piperidin-1-yl]acetic acid (PubChem CID 142231672) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is methane;2-[4-[methyl(propyl)carbamoyl]piperidin-1-yl]acetic acid.

Molecular Properties

Compound Namemethane;2-[4-[methyl(propyl)carbamoyl]piperidin-1-yl]acetic acid
PubChem CID142231672
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Namemethane;2-[4-[methyl(propyl)carbamoyl]piperidin-1-yl]acetic acid
SMILESC.CCCN(C)C(=O)C1CCN(CC(=O)O)CC1
InChIInChI=1S/C12H22N2O3.CH4/c1-3-6-13(2)12(17)10-4-7-14(8-5-10)9-11(15)16;/h10H,3-9H2,1-2H3,(H,15,16);1H4
InChIKeyKGPSIXHIDAEYHW-UHFFFAOYSA-N
XLogP1.29
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methane;2-[4-[methyl(propyl)carbamoyl]piperidin-1-yl]acetic acid?
The IUPAC name of methane;2-[4-[methyl(propyl)carbamoyl]piperidin-1-yl]acetic acid (CID 142231672) is methane;2-[4-[methyl(propyl)carbamoyl]piperidin-1-yl]acetic acid.
What is the SMILES notation for methane;2-[4-[methyl(propyl)carbamoyl]piperidin-1-yl]acetic acid?
The canonical SMILES for methane;2-[4-[methyl(propyl)carbamoyl]piperidin-1-yl]acetic acid is C.CCCN(C)C(=O)C1CCN(CC(=O)O)CC1.
What is the InChIKey of methane;2-[4-[methyl(propyl)carbamoyl]piperidin-1-yl]acetic acid?
The InChIKey is KGPSIXHIDAEYHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3.CH4/c1-3-6-13(2)12(17)10-4-7-14(8-5-10)9-11(15)16;/h10H,3-9H2,1-2H3,(H,15,16);1H4.
What are the key properties of methane;2-[4-[methyl(propyl)carbamoyl]piperidin-1-yl]acetic acid?
methane;2-[4-[methyl(propyl)carbamoyl]piperidin-1-yl]acetic acid has a molecular weight of 258.36 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methane;2-[4-[methyl(propyl)carbamoyl]piperidin-1-yl]acetic acid is sourced from PubChem (CID 142231672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).