2-[4-[(1-methyl-6-oxopiperidin-3-yl)carbamoyl]piperazin-1-yl]acetic acid

C13H22N4O4 — CID 64667444

IUPAC2-[4-[(1-methyl-6-oxopiperidin-3-yl)carbamoyl]piperazin-1-yl]acetic acid
SMILESCN1CC(NC(=O)N2CCN(CC(=O)O)CC2)CCC1=O
InChIInChI=1S/C13H22N4O4/c1-15-8-10(2-3-11(15)18)14-13(21)17-6-4-16(5-7-17)9-12(19)20/h10H,2-9H2,1H3,(H,14,21)(H,19,20)
InChIKeyCYMLFIHNHXMTGY-UHFFFAOYSA-N
MW298.34 g/mol
LogP-0.98
Rot. Bonds3

About 2-[4-[(1-methyl-6-oxopiperidin-3-yl)carbamoyl]piperazin-1-yl]acetic acid

2-[4-[(1-methyl-6-oxopiperidin-3-yl)carbamoyl]piperazin-1-yl]acetic acid (PubChem CID 64667444) has the molecular formula C13H22N4O4 and a molecular weight of 298.34 g/mol. Its IUPAC name is 2-[4-[(1-methyl-6-oxopiperidin-3-yl)carbamoyl]piperazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[(1-methyl-6-oxopiperidin-3-yl)carbamoyl]piperazin-1-yl]acetic acid
PubChem CID64667444
Molecular FormulaC13H22N4O4
Molecular Weight298.34 g/mol
Exact Mass298.16
IUPAC Name2-[4-[(1-methyl-6-oxopiperidin-3-yl)carbamoyl]piperazin-1-yl]acetic acid
SMILESCN1CC(NC(=O)N2CCN(CC(=O)O)CC2)CCC1=O
InChIInChI=1S/C13H22N4O4/c1-15-8-10(2-3-11(15)18)14-13(21)17-6-4-16(5-7-17)9-12(19)20/h10H,2-9H2,1H3,(H,14,21)(H,19,20)
InChIKeyCYMLFIHNHXMTGY-UHFFFAOYSA-N
XLogP-0.98
TPSA93.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 5-0.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(1-methylpyrrolidin-3-yl)carbamoyl]piperazin-1-yl]acetic acid
CID 61465103
2-[4-[(6-oxopiperidin-3-yl)carbamoyl]piperazin-1-yl]acetic acid
CID 63660923
4-[(1-methyl-6-oxopiperidin-3-yl)amino]-4-oxobutanoic acid
CID 64655943
2-[4-[(3-methylcyclobutyl)carbamoyl]piperazin-1-yl]acetic acid
CID 113467372
(3S)-3-methyl-N-[(3R)-1-methyl-6-oxopiperidin-3-yl]-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
CID 97248845
2-[4-(1-methyl-5-oxopyrrolidine-3-carbonyl)piperazin-1-yl]acetic acid
CID 43521272
2-[4-[(3,5-dimethylcyclohexyl)carbamoyl]piperazin-1-yl]acetic acid
CID 64733134
4-[(3-chlorocyclohexyl)methyl]-N-(1-methyl-6-oxopiperidin-3-yl)piperidine-1-carboxamide
CID 165157058
(2R)-1-[(1-methyl-6-oxopiperidin-3-yl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 64667644
2-[4-[(1-methyl-6-oxopiperidin-3-yl)carbamoyl]thiomorpholin-3-yl]acetic acid
CID 66420003
2-ethyl-1-[(1-methyl-6-oxopiperidin-3-yl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 83063217
2-[4-(thiolan-3-ylcarbamoyl)piperazin-1-yl]acetic acid
CID 103064175

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1-methyl-6-oxopiperidin-3-yl)carbamoyl]piperazin-1-yl]acetic acid?
The IUPAC name of 2-[4-[(1-methyl-6-oxopiperidin-3-yl)carbamoyl]piperazin-1-yl]acetic acid (CID 64667444) is 2-[4-[(1-methyl-6-oxopiperidin-3-yl)carbamoyl]piperazin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[(1-methyl-6-oxopiperidin-3-yl)carbamoyl]piperazin-1-yl]acetic acid?
The canonical SMILES for 2-[4-[(1-methyl-6-oxopiperidin-3-yl)carbamoyl]piperazin-1-yl]acetic acid is CN1CC(NC(=O)N2CCN(CC(=O)O)CC2)CCC1=O.
What is the InChIKey of 2-[4-[(1-methyl-6-oxopiperidin-3-yl)carbamoyl]piperazin-1-yl]acetic acid?
The InChIKey is CYMLFIHNHXMTGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O4/c1-15-8-10(2-3-11(15)18)14-13(21)17-6-4-16(5-7-17)9-12(19)20/h10H,2-9H2,1H3,(H,14,21)(H,19,20).
What are the key properties of 2-[4-[(1-methyl-6-oxopiperidin-3-yl)carbamoyl]piperazin-1-yl]acetic acid?
2-[4-[(1-methyl-6-oxopiperidin-3-yl)carbamoyl]piperazin-1-yl]acetic acid has a molecular weight of 298.34 g/mol, XLogP of -0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1-methyl-6-oxopiperidin-3-yl)carbamoyl]piperazin-1-yl]acetic acid is sourced from PubChem (CID 64667444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).