3-[3-[4-(piperidin-4-ylmethyl)piperidine-1-carbonyl]phenyl]piperidine-2,6-dione

C23H31N3O3 — CID 172604718

IUPAC3-[3-[4-(piperidin-4-ylmethyl)piperidine-1-carbonyl]phenyl]piperidine-2,6-dione
SMILESO=C1CCC(c2cccc(C(=O)N3CCC(CC4CCNCC4)CC3)c2)C(=O)N1
InChIInChI=1S/C23H31N3O3/c27-21-5-4-20(22(28)25-21)18-2-1-3-19(15-18)23(29)26-12-8-17(9-13-26)14-16-6-10-24-11-7-16/h1-3,15-17,20,24H,4-14H2,(H,25,27,28)
InChIKeyNXMCOAOCYHVVOS-UHFFFAOYSA-N
MW397.52 g/mol
LogP2.45
Rot. Bonds4

About 3-[3-[4-(piperidin-4-ylmethyl)piperidine-1-carbonyl]phenyl]piperidine-2,6-dione

3-[3-[4-(piperidin-4-ylmethyl)piperidine-1-carbonyl]phenyl]piperidine-2,6-dione (PubChem CID 172604718) has the molecular formula C23H31N3O3 and a molecular weight of 397.52 g/mol. Its IUPAC name is 3-[3-[4-(piperidin-4-ylmethyl)piperidine-1-carbonyl]phenyl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[3-[4-(piperidin-4-ylmethyl)piperidine-1-carbonyl]phenyl]piperidine-2,6-dione
PubChem CID172604718
Molecular FormulaC23H31N3O3
Molecular Weight397.52 g/mol
Exact Mass397.24
IUPAC Name3-[3-[4-(piperidin-4-ylmethyl)piperidine-1-carbonyl]phenyl]piperidine-2,6-dione
SMILESO=C1CCC(c2cccc(C(=O)N3CCC(CC4CCNCC4)CC3)c2)C(=O)N1
InChIInChI=1S/C23H31N3O3/c27-21-5-4-20(22(28)25-21)18-2-1-3-19(15-18)23(29)26-12-8-17(9-13-26)14-16-6-10-24-11-7-16/h1-3,15-17,20,24H,4-14H2,(H,25,27,28)
InChIKeyNXMCOAOCYHVVOS-UHFFFAOYSA-N
XLogP2.45
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[4-[9-(piperidin-4-ylmethyl)-3-azaspiro[5.5]undecane-3-carbonyl]phenyl]piperidine-2,6-dione
CID 172823692
3-[4-[9-(piperazin-1-ylmethyl)-3-azaspiro[5.5]undecane-3-carbonyl]phenyl]piperidine-2,6-dione
CID 166066223
3-(3-piperidin-4-yloxyphenyl)piperidine-2,6-dione
CID 170325193
molecular hydrogen;piperidin-4-amine;3-[3-[3-(piperidine-4-carbonyl)-3,9-diazaspiro[5.5]undecan-9-yl]phenyl]piperidine-2,6-dione;sulfanol;hydrate
CID 177052955
ethane;3-[3-(3-piperazin-1-ylazetidin-1-yl)phenyl]piperidine-2,6-dione
CID 177363109
3-[3-[4-(3-hydroxypropyl)piperidin-1-yl]phenyl]piperidine-2,6-dione
CID 170325392
CID 177052361
CID 177052361
3-[3-(2,7-diazaspiro[3.5]nonan-2-yl)phenyl]piperidine-2,6-dione
CID 170979872
3-[2-[4-(piperidin-4-ylmethyl)piperazin-1-yl]-4-pyridinyl]piperidine-2,6-dione
CID 166113557
[3-(piperazine-1-carbonyl)phenyl]-piperazin-1-ylmethanone
CID 54070343
4-[[6-(2,6-dioxopiperidin-3-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methyl]piperidine-1-carboxylic acid
CID 175555265
[4-(hydroxymethyl)piperidin-1-yl]-(3-hydroxyphenyl)methanone
CID 43133362

Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-(piperidin-4-ylmethyl)piperidine-1-carbonyl]phenyl]piperidine-2,6-dione?
The IUPAC name of 3-[3-[4-(piperidin-4-ylmethyl)piperidine-1-carbonyl]phenyl]piperidine-2,6-dione (CID 172604718) is 3-[3-[4-(piperidin-4-ylmethyl)piperidine-1-carbonyl]phenyl]piperidine-2,6-dione.
What is the SMILES notation for 3-[3-[4-(piperidin-4-ylmethyl)piperidine-1-carbonyl]phenyl]piperidine-2,6-dione?
The canonical SMILES for 3-[3-[4-(piperidin-4-ylmethyl)piperidine-1-carbonyl]phenyl]piperidine-2,6-dione is O=C1CCC(c2cccc(C(=O)N3CCC(CC4CCNCC4)CC3)c2)C(=O)N1.
What is the InChIKey of 3-[3-[4-(piperidin-4-ylmethyl)piperidine-1-carbonyl]phenyl]piperidine-2,6-dione?
The InChIKey is NXMCOAOCYHVVOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O3/c27-21-5-4-20(22(28)25-21)18-2-1-3-19(15-18)23(29)26-12-8-17(9-13-26)14-16-6-10-24-11-7-16/h1-3,15-17,20,24H,4-14H2,(H,25,27,28).
What are the key properties of 3-[3-[4-(piperidin-4-ylmethyl)piperidine-1-carbonyl]phenyl]piperidine-2,6-dione?
3-[3-[4-(piperidin-4-ylmethyl)piperidine-1-carbonyl]phenyl]piperidine-2,6-dione has a molecular weight of 397.52 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-(piperidin-4-ylmethyl)piperidine-1-carbonyl]phenyl]piperidine-2,6-dione is sourced from PubChem (CID 172604718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).