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

C13H21N3O4 — CID 79605703

IUPAC2-[1-[(6-oxopiperidin-3-yl)carbamoyl]piperidin-4-yl]acetic acid
SMILESO=C(O)CC1CCN(C(=O)NC2CCC(=O)NC2)CC1
InChIInChI=1S/C13H21N3O4/c17-11-2-1-10(8-14-11)15-13(20)16-5-3-9(4-6-16)7-12(18)19/h9-10H,1-8H2,(H,14,17)(H,15,20)(H,18,19)
InChIKeyUKJRSHMFLISLNT-UHFFFAOYSA-N
MW283.33 g/mol
LogP0.16
Rot. Bonds3

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

2-[1-[(6-oxopiperidin-3-yl)carbamoyl]piperidin-4-yl]acetic acid (PubChem CID 79605703) has the molecular formula C13H21N3O4 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-[1-[(6-oxopiperidin-3-yl)carbamoyl]piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[(6-oxopiperidin-3-yl)carbamoyl]piperidin-4-yl]acetic acid
PubChem CID79605703
Molecular FormulaC13H21N3O4
Molecular Weight283.33 g/mol
Exact Mass283.15
IUPAC Name2-[1-[(6-oxopiperidin-3-yl)carbamoyl]piperidin-4-yl]acetic acid
SMILESO=C(O)CC1CCN(C(=O)NC2CCC(=O)NC2)CC1
InChIInChI=1S/C13H21N3O4/c17-11-2-1-10(8-14-11)15-13(20)16-5-3-9(4-6-16)7-12(18)19/h9-10H,1-8H2,(H,14,17)(H,15,20)(H,18,19)
InChIKeyUKJRSHMFLISLNT-UHFFFAOYSA-N
XLogP0.16
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 50.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(6-oxopiperidin-3-yl)carbamoyl]piperazin-1-yl]acetic acid
CID 63660923
4-methyl-N-(6-oxopiperidin-3-yl)piperidine-1-carboxamide
CID 78917414
2-[1-(6-oxopiperidine-3-carbonyl)pyrrolidin-3-yl]acetic acid
CID 83192169
(6-oxopiperidin-3-yl)carbamic acid
CID 77299994
2-[1-(5-oxopyrrolidine-3-carbonyl)pyrrolidin-3-yl]acetic acid
CID 83192170
N-(6-oxopiperidin-3-yl)-2-piperazin-1-ylacetamide
CID 63662108
N-(6-oxopiperidin-3-yl)-2-(prop-2-enylamino)acetamide
CID 79280048
2-[1-(cyclopropylmethylcarbamoyl)piperidin-4-yl]acetic acid
CID 79608907
4-(2-amino-2-oxoethyl)-N-cyclopropylpiperidine-1-carboxamide
CID 86811914
2-ethyl-3-[(6-oxopiperidin-3-yl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 63773781
3-chloro-N-(6-oxopiperidin-3-yl)propanamide
CID 63662078
4-ethyl-1-[(5-oxopyrrolidin-3-yl)carbamoyl]piperidine-4-carboxylic acid
CID 106192114

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(6-oxopiperidin-3-yl)carbamoyl]piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-[(6-oxopiperidin-3-yl)carbamoyl]piperidin-4-yl]acetic acid (CID 79605703) is 2-[1-[(6-oxopiperidin-3-yl)carbamoyl]piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-[(6-oxopiperidin-3-yl)carbamoyl]piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-[(6-oxopiperidin-3-yl)carbamoyl]piperidin-4-yl]acetic acid is O=C(O)CC1CCN(C(=O)NC2CCC(=O)NC2)CC1.
What is the InChIKey of 2-[1-[(6-oxopiperidin-3-yl)carbamoyl]piperidin-4-yl]acetic acid?
The InChIKey is UKJRSHMFLISLNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O4/c17-11-2-1-10(8-14-11)15-13(20)16-5-3-9(4-6-16)7-12(18)19/h9-10H,1-8H2,(H,14,17)(H,15,20)(H,18,19).
What are the key properties of 2-[1-[(6-oxopiperidin-3-yl)carbamoyl]piperidin-4-yl]acetic acid?
2-[1-[(6-oxopiperidin-3-yl)carbamoyl]piperidin-4-yl]acetic acid has a molecular weight of 283.33 g/mol, XLogP of 0.16, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(6-oxopiperidin-3-yl)carbamoyl]piperidin-4-yl]acetic acid is sourced from PubChem (CID 79605703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).