6-(cyclopentylamino)-3-[[4-hydroxy-1-[(3R)-3-phenylbutanoyl]piperidin-4-yl]methyl]-1,3-diazinan-4-one

C25H38N4O3 — CID 155903656

IUPAC6-(cyclopentylamino)-3-[[4-hydroxy-1-[(3R)-3-phenylbutanoyl]piperidin-4-yl]methyl]-1,3-diazinan-4-one
SMILESC[C@H](CC(=O)N1CCC(O)(CN2CNC(NC3CCCC3)CC2=O)CC1)c1ccccc1
InChIInChI=1S/C25H38N4O3/c1-19(20-7-3-2-4-8-20)15-23(30)28-13-11-25(32,12-14-28)17-29-18-26-22(16-24(29)31)27-21-9-5-6-10-21/h2-4,7-8,19,21-22,26-27,32H,5-6,9-18H2,1H3/t19-,22?/m1/s1
InChIKeyBVUAOILNLKJRHA-LCQOSCCDSA-N
MW442.60 g/mol
LogP2.17
Rot. Bonds7

About 6-(cyclopentylamino)-3-[[4-hydroxy-1-[(3R)-3-phenylbutanoyl]piperidin-4-yl]methyl]-1,3-diazinan-4-one

6-(cyclopentylamino)-3-[[4-hydroxy-1-[(3R)-3-phenylbutanoyl]piperidin-4-yl]methyl]-1,3-diazinan-4-one (PubChem CID 155903656) has the molecular formula C25H38N4O3 and a molecular weight of 442.60 g/mol. Its IUPAC name is 6-(cyclopentylamino)-3-[[4-hydroxy-1-[(3R)-3-phenylbutanoyl]piperidin-4-yl]methyl]-1,3-diazinan-4-one.

Molecular Properties

Compound Name6-(cyclopentylamino)-3-[[4-hydroxy-1-[(3R)-3-phenylbutanoyl]piperidin-4-yl]methyl]-1,3-diazinan-4-one
PubChem CID155903656
Molecular FormulaC25H38N4O3
Molecular Weight442.60 g/mol
Exact Mass442.29
IUPAC Name6-(cyclopentylamino)-3-[[4-hydroxy-1-[(3R)-3-phenylbutanoyl]piperidin-4-yl]methyl]-1,3-diazinan-4-one
SMILESC[C@H](CC(=O)N1CCC(O)(CN2CNC(NC3CCCC3)CC2=O)CC1)c1ccccc1
InChIInChI=1S/C25H38N4O3/c1-19(20-7-3-2-4-8-20)15-23(30)28-13-11-25(32,12-14-28)17-29-18-26-22(16-24(29)31)27-21-9-5-6-10-21/h2-4,7-8,19,21-22,26-27,32H,5-6,9-18H2,1H3/t19-,22?/m1/s1
InChIKeyBVUAOILNLKJRHA-LCQOSCCDSA-N
XLogP2.17
TPSA84.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.60
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 6-(cyclopentylamino)-3-[[4-hydroxy-1-[(3R)-3-phenylbutanoyl]piperidin-4-yl]methyl]-1,3-diazinan-4-one with MolForge

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Related Compounds

6-[2-[(3S)-3-fluoropyrrolidin-1-yl]ethylamino]-3-[[4-hydroxy-1-[(3R)-3-phenylbutanoyl]piperidin-4-yl]methyl]-1,3-diazinan-4-one
CID 155903618
3-[[4-hydroxy-1-[(3R)-3-phenylbutanoyl]piperidin-4-yl]methyl]-6-(4-methylpiperazin-1-yl)-1,3-diazinan-4-one
CID 155903603
6-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-3-[[4-hydroxy-1-[(3R)-3-phenylbutanoyl]piperidin-4-yl]methyl]-1,3-diazinan-4-one
CID 155903651
3-[[4-hydroxy-1-[(3R)-3-phenylbutanoyl]piperidin-4-yl]methyl]-6-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethylamino]-1,3-diazinan-4-one
CID 155903635
3-[[4-hydroxy-1-[(3R)-3-phenylbutanoyl]piperidin-4-yl]methyl]-6-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-1,3-diazinan-4-one
CID 155903664
N-cyclohexyl-1-[[4-hydroxy-1-[(3R)-3-phenylbutanoyl]piperidin-4-yl]methyl]-6-oxo-4-phenylpyridine-3-carboxamide
CID 134218775
3-[[4-hydroxy-1-(3-phenylbutanoyl)piperidin-4-yl]methyl]-6-methylpyrimidin-4-one
CID 166555545
1-[4-(methylamino)piperidin-1-yl]-3-phenylbutan-1-one;hydrochloride
CID 119561474
6-(4-aminopiperidin-1-yl)-3-[[4-hydroxy-1-(3-phenylbutanoyl)piperidin-4-yl]methyl]pyrimidin-4-one;hydrochloride
CID 139414747
3-[[4-hydroxy-1-(3-phenylbutanoyl)piperidin-4-yl]methyl]-6-[4-(1H-pyrazol-5-yl)piperidin-1-yl]pyrimidin-4-one
CID 139414706
1-[[4-hydroxy-1-(3-phenylbutanoyl)piperidin-4-yl]methyl]-6-oxo-4-phenylpyridine-3-carboxylic acid
CID 134211837
6-[(3S)-3-aminopyrrolidin-1-yl]-3-[[4-hydroxy-1-[(3R)-3-phenylbutanoyl]piperidin-4-yl]methyl]pyrimidin-4-one
CID 134451231

Frequently Asked Questions

What is the IUPAC name of 6-(cyclopentylamino)-3-[[4-hydroxy-1-[(3R)-3-phenylbutanoyl]piperidin-4-yl]methyl]-1,3-diazinan-4-one?
The IUPAC name of 6-(cyclopentylamino)-3-[[4-hydroxy-1-[(3R)-3-phenylbutanoyl]piperidin-4-yl]methyl]-1,3-diazinan-4-one (CID 155903656) is 6-(cyclopentylamino)-3-[[4-hydroxy-1-[(3R)-3-phenylbutanoyl]piperidin-4-yl]methyl]-1,3-diazinan-4-one.
What is the SMILES notation for 6-(cyclopentylamino)-3-[[4-hydroxy-1-[(3R)-3-phenylbutanoyl]piperidin-4-yl]methyl]-1,3-diazinan-4-one?
The canonical SMILES for 6-(cyclopentylamino)-3-[[4-hydroxy-1-[(3R)-3-phenylbutanoyl]piperidin-4-yl]methyl]-1,3-diazinan-4-one is C[C@H](CC(=O)N1CCC(O)(CN2CNC(NC3CCCC3)CC2=O)CC1)c1ccccc1.
What is the InChIKey of 6-(cyclopentylamino)-3-[[4-hydroxy-1-[(3R)-3-phenylbutanoyl]piperidin-4-yl]methyl]-1,3-diazinan-4-one?
The InChIKey is BVUAOILNLKJRHA-LCQOSCCDSA-N. The full InChI is InChI=1S/C25H38N4O3/c1-19(20-7-3-2-4-8-20)15-23(30)28-13-11-25(32,12-14-28)17-29-18-26-22(16-24(29)31)27-21-9-5-6-10-21/h2-4,7-8,19,21-22,26-27,32H,5-6,9-18H2,1H3/t19-,22?/m1/s1.
What are the key properties of 6-(cyclopentylamino)-3-[[4-hydroxy-1-[(3R)-3-phenylbutanoyl]piperidin-4-yl]methyl]-1,3-diazinan-4-one?
6-(cyclopentylamino)-3-[[4-hydroxy-1-[(3R)-3-phenylbutanoyl]piperidin-4-yl]methyl]-1,3-diazinan-4-one has a molecular weight of 442.60 g/mol, XLogP of 2.17, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopentylamino)-3-[[4-hydroxy-1-[(3R)-3-phenylbutanoyl]piperidin-4-yl]methyl]-1,3-diazinan-4-one is sourced from PubChem (CID 155903656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).