2-[1-[2-(dimethylcarbamoylamino)ethylcarbamoyl]piperidin-3-yl]acetic acid

C13H24N4O4 — CID 83113670

IUPAC2-[1-[2-(dimethylcarbamoylamino)ethylcarbamoyl]piperidin-3-yl]acetic acid
SMILESCN(C)C(=O)NCCNC(=O)N1CCCC(CC(=O)O)C1
InChIInChI=1S/C13H24N4O4/c1-16(2)12(20)14-5-6-15-13(21)17-7-3-4-10(9-17)8-11(18)19/h10H,3-9H2,1-2H3,(H,14,20)(H,15,21)(H,18,19)
InChIKeyIKESKJAFGCHEHL-UHFFFAOYSA-N
MW300.36 g/mol
LogP0.15
Rot. Bonds5

About 2-[1-[2-(dimethylcarbamoylamino)ethylcarbamoyl]piperidin-3-yl]acetic acid

2-[1-[2-(dimethylcarbamoylamino)ethylcarbamoyl]piperidin-3-yl]acetic acid (PubChem CID 83113670) has the molecular formula C13H24N4O4 and a molecular weight of 300.36 g/mol. Its IUPAC name is 2-[1-[2-(dimethylcarbamoylamino)ethylcarbamoyl]piperidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-(dimethylcarbamoylamino)ethylcarbamoyl]piperidin-3-yl]acetic acid
PubChem CID83113670
Molecular FormulaC13H24N4O4
Molecular Weight300.36 g/mol
Exact Mass300.18
IUPAC Name2-[1-[2-(dimethylcarbamoylamino)ethylcarbamoyl]piperidin-3-yl]acetic acid
SMILESCN(C)C(=O)NCCNC(=O)N1CCCC(CC(=O)O)C1
InChIInChI=1S/C13H24N4O4/c1-16(2)12(20)14-5-6-15-13(21)17-7-3-4-10(9-17)8-11(18)19/h10H,3-9H2,1-2H3,(H,14,20)(H,15,21)(H,18,19)
InChIKeyIKESKJAFGCHEHL-UHFFFAOYSA-N
XLogP0.15
TPSA101.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[1-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl]piperidin-3-yl]acetic acid
CID 62978191
2-[1-[[2-(dimethylamino)-2-methylpropyl]carbamoyl]piperidin-3-yl]acetic acid
CID 62677015
2-[1-(3-methylsulfanylpropylcarbamoyl)piperidin-3-yl]acetic acid
CID 63958153
2-[1-[2-(dimethylcarbamoylamino)ethylcarbamoyl]pyrrolidin-2-yl]acetic acid
CID 83114337
2-[1-[(4-methylcyclohexyl)methylcarbamoyl]piperidin-3-yl]acetic acid
CID 63244628
2-[1-(4,4,4-trifluorobutylcarbamoyl)piperidin-3-yl]acetic acid
CID 115521318
2-[1-(2-prop-2-ynylsulfanylethylcarbamoyl)piperidin-3-yl]acetic acid
CID 106431237
2-[1-[(1-methylsulfanylcyclopropyl)methylcarbamoyl]piperidin-3-yl]acetic acid
CID 114116892
2-[(3R)-1-methylpiperidin-3-yl]acetic acid
CID 67245614
2-[1-(cyclohexylcarbamoyl)piperidin-3-yl]acetic acid
CID 62690079
2-[1-(pentan-2-ylcarbamoyl)piperidin-3-yl]acetic acid
CID 62690824
2-[1-[(3-methylcyclobutyl)carbamoyl]piperidin-3-yl]acetic acid
CID 113467402

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(dimethylcarbamoylamino)ethylcarbamoyl]piperidin-3-yl]acetic acid?
The IUPAC name of 2-[1-[2-(dimethylcarbamoylamino)ethylcarbamoyl]piperidin-3-yl]acetic acid (CID 83113670) is 2-[1-[2-(dimethylcarbamoylamino)ethylcarbamoyl]piperidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-[2-(dimethylcarbamoylamino)ethylcarbamoyl]piperidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-[2-(dimethylcarbamoylamino)ethylcarbamoyl]piperidin-3-yl]acetic acid is CN(C)C(=O)NCCNC(=O)N1CCCC(CC(=O)O)C1.
What is the InChIKey of 2-[1-[2-(dimethylcarbamoylamino)ethylcarbamoyl]piperidin-3-yl]acetic acid?
The InChIKey is IKESKJAFGCHEHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O4/c1-16(2)12(20)14-5-6-15-13(21)17-7-3-4-10(9-17)8-11(18)19/h10H,3-9H2,1-2H3,(H,14,20)(H,15,21)(H,18,19).
What are the key properties of 2-[1-[2-(dimethylcarbamoylamino)ethylcarbamoyl]piperidin-3-yl]acetic acid?
2-[1-[2-(dimethylcarbamoylamino)ethylcarbamoyl]piperidin-3-yl]acetic acid has a molecular weight of 300.36 g/mol, XLogP of 0.15, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(dimethylcarbamoylamino)ethylcarbamoyl]piperidin-3-yl]acetic acid is sourced from PubChem (CID 83113670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).