3-[4-[1-[3-(piperazine-1-carbonyl)cyclobutyl]piperidin-4-yl]anilino]piperidine-2,6-dione

C25H35N5O3 — CID 175885647

IUPAC3-[4-[1-[3-(piperazine-1-carbonyl)cyclobutyl]piperidin-4-yl]anilino]piperidine-2,6-dione
SMILESO=C1CCC(Nc2ccc(C3CCN(C4CC(C(=O)N5CCNCC5)C4)CC3)cc2)C(=O)N1
InChIInChI=1S/C25H35N5O3/c31-23-6-5-22(24(32)28-23)27-20-3-1-17(2-4-20)18-7-11-29(12-8-18)21-15-19(16-21)25(33)30-13-9-26-10-14-30/h1-4,18-19,21-22,26-27H,5-16H2,(H,28,31,32)
InChIKeyLZVHXXOPLSFYFO-UHFFFAOYSA-N
MW453.59 g/mol
LogP1.29
Rot. Bonds5

About 3-[4-[1-[3-(piperazine-1-carbonyl)cyclobutyl]piperidin-4-yl]anilino]piperidine-2,6-dione

3-[4-[1-[3-(piperazine-1-carbonyl)cyclobutyl]piperidin-4-yl]anilino]piperidine-2,6-dione (PubChem CID 175885647) has the molecular formula C25H35N5O3 and a molecular weight of 453.59 g/mol. Its IUPAC name is 3-[4-[1-[3-(piperazine-1-carbonyl)cyclobutyl]piperidin-4-yl]anilino]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[4-[1-[3-(piperazine-1-carbonyl)cyclobutyl]piperidin-4-yl]anilino]piperidine-2,6-dione
PubChem CID175885647
Molecular FormulaC25H35N5O3
Molecular Weight453.59 g/mol
Exact Mass453.27
IUPAC Name3-[4-[1-[3-(piperazine-1-carbonyl)cyclobutyl]piperidin-4-yl]anilino]piperidine-2,6-dione
SMILESO=C1CCC(Nc2ccc(C3CCN(C4CC(C(=O)N5CCNCC5)C4)CC3)cc2)C(=O)N1
InChIInChI=1S/C25H35N5O3/c31-23-6-5-22(24(32)28-23)27-20-3-1-17(2-4-20)18-7-11-29(12-8-18)21-15-19(16-21)25(33)30-13-9-26-10-14-30/h1-4,18-19,21-22,26-27H,5-16H2,(H,28,31,32)
InChIKeyLZVHXXOPLSFYFO-UHFFFAOYSA-N
XLogP1.29
TPSA93.78 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.59
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-[4-[1-[3-(piperazine-1-carbonyl)cyclobutyl]piperidin-4-yl]anilino]piperidine-2,6-dione with MolForge

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Related Compounds

(3S)-3-[4-[1-(2-oxo-2-piperazin-1-ylethyl)piperidin-4-yl]anilino]piperidine-2,6-dione
CID 175885718
(3S)-3-(4-piperidin-4-ylanilino)piperidine-2,6-dione
CID 166899562
2-[4-[4-[[(3R)-2,6-dioxopiperidin-3-yl]amino]phenyl]piperidin-1-yl]acetic acid;hydrochloride
CID 175756578
3-[3-fluoro-4-[4-(piperidine-4-carbonyl)piperazin-1-yl]anilino]piperidine-2,6-dione;hydrochloride
CID 178082091
O-tert-butyl 4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidine-1-carbothioate
CID 177363967
3-[4-(3-oxocyclobutyl)anilino]piperidine-2,6-dione
CID 166522118
3-(4-piperidin-3-ylanilino)piperidine-2,6-dione
CID 166117596
tert-butyl 1-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidin-1-yl]ethyl]piperidine-4-carboxylate
CID 172591957
3-[4-(2,2-dimethyl-1-propan-2-ylpiperidin-4-yl)anilino]piperidine-2,6-dione
CID 166117135
3-[4-(4-piperidin-4-ylpiperidin-1-yl)anilino]piperidine-2,6-dione
CID 164719832
tert-butyl 4-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidin-1-yl]ethyl]piperidine-1-carboxylate
CID 172591640
3-[4-[1-[1-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]phenyl]piperidin-4-yl]piperidin-4-yl]anilino]piperidine-2,6-dione
CID 177002980

Frequently Asked Questions

What is the IUPAC name of 3-[4-[1-[3-(piperazine-1-carbonyl)cyclobutyl]piperidin-4-yl]anilino]piperidine-2,6-dione?
The IUPAC name of 3-[4-[1-[3-(piperazine-1-carbonyl)cyclobutyl]piperidin-4-yl]anilino]piperidine-2,6-dione (CID 175885647) is 3-[4-[1-[3-(piperazine-1-carbonyl)cyclobutyl]piperidin-4-yl]anilino]piperidine-2,6-dione.
What is the SMILES notation for 3-[4-[1-[3-(piperazine-1-carbonyl)cyclobutyl]piperidin-4-yl]anilino]piperidine-2,6-dione?
The canonical SMILES for 3-[4-[1-[3-(piperazine-1-carbonyl)cyclobutyl]piperidin-4-yl]anilino]piperidine-2,6-dione is O=C1CCC(Nc2ccc(C3CCN(C4CC(C(=O)N5CCNCC5)C4)CC3)cc2)C(=O)N1.
What is the InChIKey of 3-[4-[1-[3-(piperazine-1-carbonyl)cyclobutyl]piperidin-4-yl]anilino]piperidine-2,6-dione?
The InChIKey is LZVHXXOPLSFYFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N5O3/c31-23-6-5-22(24(32)28-23)27-20-3-1-17(2-4-20)18-7-11-29(12-8-18)21-15-19(16-21)25(33)30-13-9-26-10-14-30/h1-4,18-19,21-22,26-27H,5-16H2,(H,28,31,32).
What are the key properties of 3-[4-[1-[3-(piperazine-1-carbonyl)cyclobutyl]piperidin-4-yl]anilino]piperidine-2,6-dione?
3-[4-[1-[3-(piperazine-1-carbonyl)cyclobutyl]piperidin-4-yl]anilino]piperidine-2,6-dione has a molecular weight of 453.59 g/mol, XLogP of 1.29, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[1-[3-(piperazine-1-carbonyl)cyclobutyl]piperidin-4-yl]anilino]piperidine-2,6-dione is sourced from PubChem (CID 175885647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).