2-[1-(1-carbamoylpiperidine-3-carbonyl)piperidin-2-yl]acetic acid

C14H23N3O4 — CID 61010810

IUPAC2-[1-(1-carbamoylpiperidine-3-carbonyl)piperidin-2-yl]acetic acid
SMILESNC(=O)N1CCCC(C(=O)N2CCCCC2CC(=O)O)C1
InChIInChI=1S/C14H23N3O4/c15-14(21)16-6-3-4-10(9-16)13(20)17-7-2-1-5-11(17)8-12(18)19/h10-11H,1-9H2,(H2,15,21)(H,18,19)
InChIKeyCRYDHOCPZURZJJ-UHFFFAOYSA-N
MW297.36 g/mol
LogP0.63
Rot. Bonds3

About 2-[1-(1-carbamoylpiperidine-3-carbonyl)piperidin-2-yl]acetic acid

2-[1-(1-carbamoylpiperidine-3-carbonyl)piperidin-2-yl]acetic acid (PubChem CID 61010810) has the molecular formula C14H23N3O4 and a molecular weight of 297.36 g/mol. Its IUPAC name is 2-[1-(1-carbamoylpiperidine-3-carbonyl)piperidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(1-carbamoylpiperidine-3-carbonyl)piperidin-2-yl]acetic acid
PubChem CID61010810
Molecular FormulaC14H23N3O4
Molecular Weight297.36 g/mol
Exact Mass297.17
IUPAC Name2-[1-(1-carbamoylpiperidine-3-carbonyl)piperidin-2-yl]acetic acid
SMILESNC(=O)N1CCCC(C(=O)N2CCCCC2CC(=O)O)C1
InChIInChI=1S/C14H23N3O4/c15-14(21)16-6-3-4-10(9-16)13(20)17-7-2-1-5-11(17)8-12(18)19/h10-11H,1-9H2,(H2,15,21)(H,18,19)
InChIKeyCRYDHOCPZURZJJ-UHFFFAOYSA-N
XLogP0.63
TPSA103.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-(1-carbamoylpiperidine-3-carbonyl)piperidine-2-carboxylic acid
CID 66262849
2-[1-(piperidine-1-carbonyl)piperidin-2-yl]acetic acid
CID 61181297
2-[1-(3-aminocyclopentanecarbonyl)pyrrolidin-2-yl]acetic acid
CID 66010040
2-[1-[(3S)-piperidine-3-carbonyl]pyrrolidin-2-yl]acetic acid
CID 81140304
ethyl 3-(2-ethylpiperidine-1-carbonyl)piperidine-1-carboxylate
CID 134002906
[2-(aminomethyl)pyrrolidin-1-yl]-cyclohexylmethanone;hydrochloride
CID 119261191
1-[3-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone
CID 61409138
2-[1-(cyclohex-3-ene-1-carbonyl)piperidin-2-yl]acetic acid
CID 54899519
2-[4-(cyclohexanecarbonyl)thiomorpholin-3-yl]acetic acid
CID 66444455
1-[1-(cycloheptanecarbonyl)azepan-2-yl]propan-2-one
CID 79553595
1-[3-[2-(aminomethyl)piperidine-1-carbonyl]piperidin-1-yl]-2-methylbutan-1-one
CID 119466888
1-[3-[2-(aminomethyl)piperidine-1-carbonyl]piperidin-1-yl]-2-phenylethanone;hydrochloride
CID 119469695

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-carbamoylpiperidine-3-carbonyl)piperidin-2-yl]acetic acid?
The IUPAC name of 2-[1-(1-carbamoylpiperidine-3-carbonyl)piperidin-2-yl]acetic acid (CID 61010810) is 2-[1-(1-carbamoylpiperidine-3-carbonyl)piperidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-(1-carbamoylpiperidine-3-carbonyl)piperidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-(1-carbamoylpiperidine-3-carbonyl)piperidin-2-yl]acetic acid is NC(=O)N1CCCC(C(=O)N2CCCCC2CC(=O)O)C1.
What is the InChIKey of 2-[1-(1-carbamoylpiperidine-3-carbonyl)piperidin-2-yl]acetic acid?
The InChIKey is CRYDHOCPZURZJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O4/c15-14(21)16-6-3-4-10(9-16)13(20)17-7-2-1-5-11(17)8-12(18)19/h10-11H,1-9H2,(H2,15,21)(H,18,19).
What are the key properties of 2-[1-(1-carbamoylpiperidine-3-carbonyl)piperidin-2-yl]acetic acid?
2-[1-(1-carbamoylpiperidine-3-carbonyl)piperidin-2-yl]acetic acid has a molecular weight of 297.36 g/mol, XLogP of 0.63, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-carbamoylpiperidine-3-carbonyl)piperidin-2-yl]acetic acid is sourced from PubChem (CID 61010810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).