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

C15H21N5O4 — CID 166899719

IUPAC2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]pyrazol-1-yl]piperidin-1-yl]acetic acid
SMILESO=C(O)CN1CCC(n2cc(NC3CCC(=O)NC3=O)cn2)CC1
InChIInChI=1S/C15H21N5O4/c21-13-2-1-12(15(24)18-13)17-10-7-16-20(8-10)11-3-5-19(6-4-11)9-14(22)23/h7-8,11-12,17H,1-6,9H2,(H,22,23)(H,18,21,24)
InChIKeyWQAVJFAVUYNWNO-UHFFFAOYSA-N
MW335.36 g/mol
LogP-0.18
Rot. Bonds5

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

2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]pyrazol-1-yl]piperidin-1-yl]acetic acid (PubChem CID 166899719) has the molecular formula C15H21N5O4 and a molecular weight of 335.36 g/mol. Its IUPAC name is 2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]pyrazol-1-yl]piperidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]pyrazol-1-yl]piperidin-1-yl]acetic acid
PubChem CID166899719
Molecular FormulaC15H21N5O4
Molecular Weight335.36 g/mol
Exact Mass335.16
IUPAC Name2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]pyrazol-1-yl]piperidin-1-yl]acetic acid
SMILESO=C(O)CN1CCC(n2cc(NC3CCC(=O)NC3=O)cn2)CC1
InChIInChI=1S/C15H21N5O4/c21-13-2-1-12(15(24)18-13)17-10-7-16-20(8-10)11-3-5-19(6-4-11)9-14(22)23/h7-8,11-12,17H,1-6,9H2,(H,22,23)(H,18,21,24)
InChIKeyWQAVJFAVUYNWNO-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

2-[4-[4-[[(3R)-2,6-dioxopiperidin-3-yl]amino]phenyl]piperidin-1-yl]acetic acid;hydrochloride
CID 175756578
2-[4-[6-[(2,6-dioxopiperidin-3-yl)amino]-3-pyridinyl]piperidin-1-yl]acetic acid
CID 171108561
2-[4-[5-[(2,6-dioxopiperidin-3-yl)amino]-2-pyridinyl]piperidin-1-yl]acetic acid;2,2,2-trifluoroacetic acid
CID 175584631
2-[4-[2-(difluoromethyl)-4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidin-1-yl]acetic acid
CID 156515724
2-[(4S)-4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]-3,3-difluoropiperidin-1-yl]acetic acid
CID 166899983
3-[[5-[1-(3-methyl-2-oxobutyl)piperidin-4-yl]pyrimidin-2-yl]amino]piperidine-2,6-dione
CID 166472189
2-[1-[5-[(2,6-dioxopiperidin-3-yl)amino]-3-fluoro-2-pyridinyl]piperidin-4-yl]acetic acid
CID 166472355
2-(4-tert-butylpiperidin-1-yl)-N-[3-[(2,6-dioxopiperidin-3-yl)amino]phenyl]acetamide
CID 162504384
(3S)-3-[4-[1-(2-oxo-2-piperazin-1-ylethyl)piperidin-4-yl]anilino]piperidine-2,6-dione
CID 175885718
2-[1-[5-[[(3R)-2,6-dioxopiperidin-3-yl]amino]-3-fluoro-2-pyridinyl]-4-hydroxypiperidin-4-yl]acetic acid
CID 156505941
2-[4-[4-(2,6-dioxopiperidin-3-yl)-2,5-difluorophenyl]piperidin-1-yl]acetic acid
CID 166472394
tert-butyl 1-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidin-1-yl]ethyl]piperidine-4-carboxylate
CID 172591957

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]pyrazol-1-yl]piperidin-1-yl]acetic acid?
The IUPAC name of 2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]pyrazol-1-yl]piperidin-1-yl]acetic acid (CID 166899719) is 2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]pyrazol-1-yl]piperidin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]pyrazol-1-yl]piperidin-1-yl]acetic acid?
The canonical SMILES for 2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]pyrazol-1-yl]piperidin-1-yl]acetic acid is O=C(O)CN1CCC(n2cc(NC3CCC(=O)NC3=O)cn2)CC1.
What is the InChIKey of 2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]pyrazol-1-yl]piperidin-1-yl]acetic acid?
The InChIKey is WQAVJFAVUYNWNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O4/c21-13-2-1-12(15(24)18-13)17-10-7-16-20(8-10)11-3-5-19(6-4-11)9-14(22)23/h7-8,11-12,17H,1-6,9H2,(H,22,23)(H,18,21,24).
What are the key properties of 2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]pyrazol-1-yl]piperidin-1-yl]acetic acid?
2-[4-[4-[(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-[4-[(2,6-dioxopiperidin-3-yl)amino]pyrazol-1-yl]piperidin-1-yl]acetic acid is sourced from PubChem (CID 166899719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).