(2R,7R)-1,8-diphenyl-2,7-di(piperidin-1-yl)octane-1,8-dione

C30H40N2O2 — CID 31275145

IUPAC(2R,7R)-1,8-diphenyl-2,7-di(piperidin-1-yl)octane-1,8-dione
SMILESO=C(c1ccccc1)[C@@H](CCCC[C@H](C(=O)c1ccccc1)N1CCCCC1)N1CCCCC1
InChIInChI=1S/C30H40N2O2/c33-29(25-15-5-1-6-16-25)27(31-21-11-3-12-22-31)19-9-10-20-28(32-23-13-4-14-24-32)30(34)26-17-7-2-8-18-26/h1-2,5-8,15-18,27-28H,3-4,9-14,19-24H2/t27-,28-/m1/s1
InChIKeyDZJVYYUUZFCXQS-VSGBNLITSA-N
MW460.66 g/mol
LogP6.02
Rot. Bonds11

About (2R,7R)-1,8-diphenyl-2,7-di(piperidin-1-yl)octane-1,8-dione

(2R,7R)-1,8-diphenyl-2,7-di(piperidin-1-yl)octane-1,8-dione (PubChem CID 31275145) has the molecular formula C30H40N2O2 and a molecular weight of 460.66 g/mol. Its IUPAC name is (2R,7R)-1,8-diphenyl-2,7-di(piperidin-1-yl)octane-1,8-dione.

Molecular Properties

Compound Name(2R,7R)-1,8-diphenyl-2,7-di(piperidin-1-yl)octane-1,8-dione
PubChem CID31275145
Molecular FormulaC30H40N2O2
Molecular Weight460.66 g/mol
Exact Mass460.31
IUPAC Name(2R,7R)-1,8-diphenyl-2,7-di(piperidin-1-yl)octane-1,8-dione
SMILESO=C(c1ccccc1)[C@@H](CCCC[C@H](C(=O)c1ccccc1)N1CCCCC1)N1CCCCC1
InChIInChI=1S/C30H40N2O2/c33-29(25-15-5-1-6-16-25)27(31-21-11-3-12-22-31)19-9-10-20-28(32-23-13-4-14-24-32)30(34)26-17-7-2-8-18-26/h1-2,5-8,15-18,27-28H,3-4,9-14,19-24H2/t27-,28-/m1/s1
InChIKeyDZJVYYUUZFCXQS-VSGBNLITSA-N
XLogP6.02
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.66
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2R,7R)-1,8-diphenyl-2,7-di(piperidin-1-yl)octane-1,8-dione with MolForge

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Related Compounds

(2S)-1-phenyl-2-pyrrolidin-1-ylpentan-1-one
CID 86310958
(2R)-1-(4-fluorophenyl)-2-pyrrolidin-1-yloctan-1-one
CID 125181338
2-morpholin-4-yl-1-phenylhexan-1-one;hydrochloride
CID 54599189
(2R)-1-(4-fluorophenyl)-3-phenyl-2-piperidin-1-ylpropan-1-one
CID 2502673
1-(4-methoxyphenyl)-2-pyrrolidin-1-ylheptan-1-one
CID 102144586
1-(4-bromophenyl)-3-phenyl-2-piperidin-1-ylpropan-1-one
CID 4317335
methane;1-naphthalen-2-yl-2-pyrrolidin-1-ylpentan-1-one
CID 117065161
3-(1H-indol-2-yl)-1-phenyl-2-piperidin-1-ylpropan-1-one
CID 70630041
ethyl 4-(2-pyrrolidin-1-ylhexanoyl)benzoate
CID 6423083
1-phenyl-2-pyrrolidin-1-ylpropan-1-one;hydrochloride
CID 21114962
1-phenyl-2-(1,4-thiazepan-4-yl)butan-1-one
CID 62030314
3-methyl-1-phenyl-2-pyrrolidin-1-ylbutan-1-one
CID 69248199

Frequently Asked Questions

What is the IUPAC name of (2R,7R)-1,8-diphenyl-2,7-di(piperidin-1-yl)octane-1,8-dione?
The IUPAC name of (2R,7R)-1,8-diphenyl-2,7-di(piperidin-1-yl)octane-1,8-dione (CID 31275145) is (2R,7R)-1,8-diphenyl-2,7-di(piperidin-1-yl)octane-1,8-dione.
What is the SMILES notation for (2R,7R)-1,8-diphenyl-2,7-di(piperidin-1-yl)octane-1,8-dione?
The canonical SMILES for (2R,7R)-1,8-diphenyl-2,7-di(piperidin-1-yl)octane-1,8-dione is O=C(c1ccccc1)[C@@H](CCCC[C@H](C(=O)c1ccccc1)N1CCCCC1)N1CCCCC1.
What is the InChIKey of (2R,7R)-1,8-diphenyl-2,7-di(piperidin-1-yl)octane-1,8-dione?
The InChIKey is DZJVYYUUZFCXQS-VSGBNLITSA-N. The full InChI is InChI=1S/C30H40N2O2/c33-29(25-15-5-1-6-16-25)27(31-21-11-3-12-22-31)19-9-10-20-28(32-23-13-4-14-24-32)30(34)26-17-7-2-8-18-26/h1-2,5-8,15-18,27-28H,3-4,9-14,19-24H2/t27-,28-/m1/s1.
What are the key properties of (2R,7R)-1,8-diphenyl-2,7-di(piperidin-1-yl)octane-1,8-dione?
(2R,7R)-1,8-diphenyl-2,7-di(piperidin-1-yl)octane-1,8-dione has a molecular weight of 460.66 g/mol, XLogP of 6.02, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,7R)-1,8-diphenyl-2,7-di(piperidin-1-yl)octane-1,8-dione is sourced from PubChem (CID 31275145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).