(3R)-3-[4-[4-(2-cyclohexylethyl)piperazin-1-yl]phenyl]-3-methylpiperidine-2,6-dione

C24H35N3O2 — CID 171406538

IUPAC(3R)-3-[4-[4-(2-cyclohexylethyl)piperazin-1-yl]phenyl]-3-methylpiperidine-2,6-dione
SMILESC[C@]1(c2ccc(N3CCN(CCC4CCCCC4)CC3)cc2)CCC(=O)NC1=O
InChIInChI=1S/C24H35N3O2/c1-24(13-11-22(28)25-23(24)29)20-7-9-21(10-8-20)27-17-15-26(16-18-27)14-12-19-5-3-2-4-6-19/h7-10,19H,2-6,11-18H2,1H3,(H,25,28,29)/t24-/m1/s1
InChIKeyHFRVNHWJGVLMHT-XMMPIXPASA-N
MW397.56 g/mol
LogP3.47
Rot. Bonds5

About (3R)-3-[4-[4-(2-cyclohexylethyl)piperazin-1-yl]phenyl]-3-methylpiperidine-2,6-dione

(3R)-3-[4-[4-(2-cyclohexylethyl)piperazin-1-yl]phenyl]-3-methylpiperidine-2,6-dione (PubChem CID 171406538) has the molecular formula C24H35N3O2 and a molecular weight of 397.56 g/mol. Its IUPAC name is (3R)-3-[4-[4-(2-cyclohexylethyl)piperazin-1-yl]phenyl]-3-methylpiperidine-2,6-dione.

Molecular Properties

Compound Name(3R)-3-[4-[4-(2-cyclohexylethyl)piperazin-1-yl]phenyl]-3-methylpiperidine-2,6-dione
PubChem CID171406538
Molecular FormulaC24H35N3O2
Molecular Weight397.56 g/mol
Exact Mass397.27
IUPAC Name(3R)-3-[4-[4-(2-cyclohexylethyl)piperazin-1-yl]phenyl]-3-methylpiperidine-2,6-dione
SMILESC[C@]1(c2ccc(N3CCN(CCC4CCCCC4)CC3)cc2)CCC(=O)NC1=O
InChIInChI=1S/C24H35N3O2/c1-24(13-11-22(28)25-23(24)29)20-7-9-21(10-8-20)27-17-15-26(16-18-27)14-12-19-5-3-2-4-6-19/h7-10,19H,2-6,11-18H2,1H3,(H,25,28,29)/t24-/m1/s1
InChIKeyHFRVNHWJGVLMHT-XMMPIXPASA-N
XLogP3.47
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.56
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-[4-[4-(2-cyclohexylethyl)piperazin-1-yl]phenyl]-3-methylpiperidine-2,6-dione?
The IUPAC name of (3R)-3-[4-[4-(2-cyclohexylethyl)piperazin-1-yl]phenyl]-3-methylpiperidine-2,6-dione (CID 171406538) is (3R)-3-[4-[4-(2-cyclohexylethyl)piperazin-1-yl]phenyl]-3-methylpiperidine-2,6-dione.
What is the SMILES notation for (3R)-3-[4-[4-(2-cyclohexylethyl)piperazin-1-yl]phenyl]-3-methylpiperidine-2,6-dione?
The canonical SMILES for (3R)-3-[4-[4-(2-cyclohexylethyl)piperazin-1-yl]phenyl]-3-methylpiperidine-2,6-dione is C[C@]1(c2ccc(N3CCN(CCC4CCCCC4)CC3)cc2)CCC(=O)NC1=O.
What is the InChIKey of (3R)-3-[4-[4-(2-cyclohexylethyl)piperazin-1-yl]phenyl]-3-methylpiperidine-2,6-dione?
The InChIKey is HFRVNHWJGVLMHT-XMMPIXPASA-N. The full InChI is InChI=1S/C24H35N3O2/c1-24(13-11-22(28)25-23(24)29)20-7-9-21(10-8-20)27-17-15-26(16-18-27)14-12-19-5-3-2-4-6-19/h7-10,19H,2-6,11-18H2,1H3,(H,25,28,29)/t24-/m1/s1.
What are the key properties of (3R)-3-[4-[4-(2-cyclohexylethyl)piperazin-1-yl]phenyl]-3-methylpiperidine-2,6-dione?
(3R)-3-[4-[4-(2-cyclohexylethyl)piperazin-1-yl]phenyl]-3-methylpiperidine-2,6-dione has a molecular weight of 397.56 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[4-[4-(2-cyclohexylethyl)piperazin-1-yl]phenyl]-3-methylpiperidine-2,6-dione is sourced from PubChem (CID 171406538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).