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

C12H20N4O4 — CID 63660923

IUPAC2-[4-[(6-oxopiperidin-3-yl)carbamoyl]piperazin-1-yl]acetic acid
SMILESO=C(O)CN1CCN(C(=O)NC2CCC(=O)NC2)CC1
InChIInChI=1S/C12H20N4O4/c17-10-2-1-9(7-13-10)14-12(20)16-5-3-15(4-6-16)8-11(18)19/h9H,1-8H2,(H,13,17)(H,14,20)(H,18,19)
InChIKeyIJJYOTZMWSGRJO-UHFFFAOYSA-N
MW284.32 g/mol
LogP-1.32
Rot. Bonds3

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

2-[4-[(6-oxopiperidin-3-yl)carbamoyl]piperazin-1-yl]acetic acid (PubChem CID 63660923) has the molecular formula C12H20N4O4 and a molecular weight of 284.32 g/mol. Its IUPAC name is 2-[4-[(6-oxopiperidin-3-yl)carbamoyl]piperazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[(6-oxopiperidin-3-yl)carbamoyl]piperazin-1-yl]acetic acid
PubChem CID63660923
Molecular FormulaC12H20N4O4
Molecular Weight284.32 g/mol
Exact Mass284.15
IUPAC Name2-[4-[(6-oxopiperidin-3-yl)carbamoyl]piperazin-1-yl]acetic acid
SMILESO=C(O)CN1CCN(C(=O)NC2CCC(=O)NC2)CC1
InChIInChI=1S/C12H20N4O4/c17-10-2-1-9(7-13-10)14-12(20)16-5-3-15(4-6-16)8-11(18)19/h9H,1-8H2,(H,13,17)(H,14,20)(H,18,19)
InChIKeyIJJYOTZMWSGRJO-UHFFFAOYSA-N
XLogP-1.32
TPSA101.98 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 5-1.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[(6-oxopiperidin-3-yl)carbamoyl]piperidin-4-yl]acetic acid
CID 79605703
4-methyl-N-(6-oxopiperidin-3-yl)piperidine-1-carboxamide
CID 78917414
2-[4-[(1-methyl-6-oxopiperidin-3-yl)carbamoyl]piperazin-1-yl]acetic acid
CID 64667444
N-(6-oxopiperidin-3-yl)-2-piperazin-1-ylacetamide
CID 63662108
2-[4-(6-oxopiperidine-3-carbonyl)-1,4-diazepan-1-yl]acetic acid
CID 83193169
(6-oxopiperidin-3-yl)carbamic acid
CID 77299994
2-[4-[(3-methylcyclobutyl)carbamoyl]piperazin-1-yl]acetic acid
CID 113467372
2-[4-[(1-methylpyrrolidin-3-yl)carbamoyl]piperazin-1-yl]acetic acid
CID 61465103
2-[4-(thiolan-3-ylcarbamoyl)piperazin-1-yl]acetic acid
CID 103064175
2-[4-[(3,5-dimethylcyclohexyl)carbamoyl]piperazin-1-yl]acetic acid
CID 64733134
N-(6-oxopiperidin-3-yl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 55210347
2-[4-[(3-methylcyclopentyl)carbamoyl]-1,4-diazepan-1-yl]acetic acid
CID 114548966

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(6-oxopiperidin-3-yl)carbamoyl]piperazin-1-yl]acetic acid?
The IUPAC name of 2-[4-[(6-oxopiperidin-3-yl)carbamoyl]piperazin-1-yl]acetic acid (CID 63660923) is 2-[4-[(6-oxopiperidin-3-yl)carbamoyl]piperazin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[(6-oxopiperidin-3-yl)carbamoyl]piperazin-1-yl]acetic acid?
The canonical SMILES for 2-[4-[(6-oxopiperidin-3-yl)carbamoyl]piperazin-1-yl]acetic acid is O=C(O)CN1CCN(C(=O)NC2CCC(=O)NC2)CC1.
What is the InChIKey of 2-[4-[(6-oxopiperidin-3-yl)carbamoyl]piperazin-1-yl]acetic acid?
The InChIKey is IJJYOTZMWSGRJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O4/c17-10-2-1-9(7-13-10)14-12(20)16-5-3-15(4-6-16)8-11(18)19/h9H,1-8H2,(H,13,17)(H,14,20)(H,18,19).
What are the key properties of 2-[4-[(6-oxopiperidin-3-yl)carbamoyl]piperazin-1-yl]acetic acid?
2-[4-[(6-oxopiperidin-3-yl)carbamoyl]piperazin-1-yl]acetic acid has a molecular weight of 284.32 g/mol, XLogP of -1.32, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(6-oxopiperidin-3-yl)carbamoyl]piperazin-1-yl]acetic acid is sourced from PubChem (CID 63660923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).