2-[4-[3-[(2,6-dioxopiperidin-3-yl)amino]pyrazol-1-yl]piperidin-1-yl]acetic acid

C15H21N5O4 — CID 166472128

IUPAC2-[4-[3-[(2,6-dioxopiperidin-3-yl)amino]pyrazol-1-yl]piperidin-1-yl]acetic acid
SMILESO=C(O)CN1CCC(n2ccc(NC3CCC(=O)NC3=O)n2)CC1
InChIInChI=1S/C15H21N5O4/c21-13-2-1-11(15(24)17-13)16-12-5-8-20(18-12)10-3-6-19(7-4-10)9-14(22)23/h5,8,10-11H,1-4,6-7,9H2,(H,16,18)(H,22,23)(H,17,21,24)
InChIKeyXCDNZBWLISWKLE-UHFFFAOYSA-N
MW335.36 g/mol
LogP-0.18
Rot. Bonds5

About 2-[4-[3-[(2,6-dioxopiperidin-3-yl)amino]pyrazol-1-yl]piperidin-1-yl]acetic acid

2-[4-[3-[(2,6-dioxopiperidin-3-yl)amino]pyrazol-1-yl]piperidin-1-yl]acetic acid (PubChem CID 166472128) has the molecular formula C15H21N5O4 and a molecular weight of 335.36 g/mol. Its IUPAC name is 2-[4-[3-[(2,6-dioxopiperidin-3-yl)amino]pyrazol-1-yl]piperidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[3-[(2,6-dioxopiperidin-3-yl)amino]pyrazol-1-yl]piperidin-1-yl]acetic acid
PubChem CID166472128
Molecular FormulaC15H21N5O4
Molecular Weight335.36 g/mol
Exact Mass335.16
IUPAC Name2-[4-[3-[(2,6-dioxopiperidin-3-yl)amino]pyrazol-1-yl]piperidin-1-yl]acetic acid
SMILESO=C(O)CN1CCC(n2ccc(NC3CCC(=O)NC3=O)n2)CC1
InChIInChI=1S/C15H21N5O4/c21-13-2-1-11(15(24)17-13)16-12-5-8-20(18-12)10-3-6-19(7-4-10)9-14(22)23/h5,8,10-11H,1-4,6-7,9H2,(H,16,18)(H,22,23)(H,17,21,24)
InChIKeyXCDNZBWLISWKLE-UHFFFAOYSA-N
XLogP-0.18
TPSA116.56 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-[(1-Piperidin-4-ylpyrazol-3-yl)amino]piperidine-2,6-dione;2,2,2-trifluoroacetic acid
CID 175801535
N-[1-(2-hydroxyethyl)pyrazol-3-yl]pyrrolidine-2-carboxamide
CID 91062088
1-Methyl-5-[(1-methylpyrazol-3-yl)amino]piperidin-2-one
CID 150131553
3-[(1-Propan-2-ylpyrazol-3-yl)amino]piperidine-2,6-dione
CID 164719881
CID 164983630
CID 164983630
3-[[1-[2-[Methyl(propan-2-yl)amino]ethyl]pyrazol-3-yl]amino]piperidine-2,6-dione
CID 166116834
3-[[1-[2-(Methylamino)ethyl]pyrazol-3-yl]amino]piperidine-2,6-dione
CID 166117102
3-[(1-Piperidin-4-ylpyrazol-3-yl)amino]piperidine-2,6-dione
CID 166117337
tert-butyl N-[2-[3-[(2,6-dioxopiperidin-3-yl)amino]pyrazol-1-yl]ethyl]-N-methylcarbamate
CID 166117429
3-[[1-(1-Propan-2-ylpiperidin-4-yl)pyrazol-3-yl]amino]piperidine-2,6-dione
CID 166117457
3-[[1-[1-(3-Methyl-2-oxobutyl)piperidin-4-yl]pyrazol-3-yl]amino]piperidine-2,6-dione
CID 166471946
Tert-butyl 2-[4-[3-[(2,6-dioxopiperidin-3-yl)amino]pyrazol-1-yl]piperidin-1-yl]acetate
CID 166472273

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-[(2,6-dioxopiperidin-3-yl)amino]pyrazol-1-yl]piperidin-1-yl]acetic acid?
The IUPAC name of 2-[4-[3-[(2,6-dioxopiperidin-3-yl)amino]pyrazol-1-yl]piperidin-1-yl]acetic acid (CID 166472128) is 2-[4-[3-[(2,6-dioxopiperidin-3-yl)amino]pyrazol-1-yl]piperidin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[3-[(2,6-dioxopiperidin-3-yl)amino]pyrazol-1-yl]piperidin-1-yl]acetic acid?
The canonical SMILES for 2-[4-[3-[(2,6-dioxopiperidin-3-yl)amino]pyrazol-1-yl]piperidin-1-yl]acetic acid is O=C(O)CN1CCC(n2ccc(NC3CCC(=O)NC3=O)n2)CC1.
What is the InChIKey of 2-[4-[3-[(2,6-dioxopiperidin-3-yl)amino]pyrazol-1-yl]piperidin-1-yl]acetic acid?
The InChIKey is XCDNZBWLISWKLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O4/c21-13-2-1-11(15(24)17-13)16-12-5-8-20(18-12)10-3-6-19(7-4-10)9-14(22)23/h5,8,10-11H,1-4,6-7,9H2,(H,16,18)(H,22,23)(H,17,21,24).
What are the key properties of 2-[4-[3-[(2,6-dioxopiperidin-3-yl)amino]pyrazol-1-yl]piperidin-1-yl]acetic acid?
2-[4-[3-[(2,6-dioxopiperidin-3-yl)amino]pyrazol-1-yl]piperidin-1-yl]acetic acid has a molecular weight of 335.36 g/mol, XLogP of -0.18, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-[(2,6-dioxopiperidin-3-yl)amino]pyrazol-1-yl]piperidin-1-yl]acetic acid is sourced from PubChem (CID 166472128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).