1-[(2R)-2-benzylpiperidin-1-yl]-4-morpholin-4-ylbutane-1,4-dione

C20H28N2O3 — CID 97015300

IUPAC1-[(2R)-2-benzylpiperidin-1-yl]-4-morpholin-4-ylbutane-1,4-dione
SMILESO=C(CCC(=O)N1CCCC[C@@H]1Cc1ccccc1)N1CCOCC1
InChIInChI=1S/C20H28N2O3/c23-19(21-12-14-25-15-13-21)9-10-20(24)22-11-5-4-8-18(22)16-17-6-2-1-3-7-17/h1-3,6-7,18H,4-5,8-16H2/t18-/m1/s1
InChIKeyMHTYKFIZWDSKQY-GOSISDBHSA-N
MW344.46 g/mol
LogP2.25
Rot. Bonds5

About 1-[(2R)-2-benzylpiperidin-1-yl]-4-morpholin-4-ylbutane-1,4-dione

1-[(2R)-2-benzylpiperidin-1-yl]-4-morpholin-4-ylbutane-1,4-dione (PubChem CID 97015300) has the molecular formula C20H28N2O3 and a molecular weight of 344.46 g/mol. Its IUPAC name is 1-[(2R)-2-benzylpiperidin-1-yl]-4-morpholin-4-ylbutane-1,4-dione.

Molecular Properties

Compound Name1-[(2R)-2-benzylpiperidin-1-yl]-4-morpholin-4-ylbutane-1,4-dione
PubChem CID97015300
Molecular FormulaC20H28N2O3
Molecular Weight344.46 g/mol
Exact Mass344.21
IUPAC Name1-[(2R)-2-benzylpiperidin-1-yl]-4-morpholin-4-ylbutane-1,4-dione
SMILESO=C(CCC(=O)N1CCCC[C@@H]1Cc1ccccc1)N1CCOCC1
InChIInChI=1S/C20H28N2O3/c23-19(21-12-14-25-15-13-21)9-10-20(24)22-11-5-4-8-18(22)16-17-6-2-1-3-7-17/h1-3,6-7,18H,4-5,8-16H2/t18-/m1/s1
InChIKeyMHTYKFIZWDSKQY-GOSISDBHSA-N
XLogP2.25
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[(2R)-2-benzylpiperidin-1-yl]-4-morpholin-4-ylbutane-1,4-dione with MolForge

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Related Compounds

methyl 4-[(2R)-2-benzylpiperidin-1-yl]-4-oxobutanoate
CID 95310445
[(2S)-2-benzylpiperidin-1-yl]-phenylmethanone
CID 155929798
1-[(2S)-2-benzylpiperidin-1-yl]-4-(2-methoxyethoxy)butan-1-one
CID 95295343
methyl 2-benzylazepane-1-carboxylate
CID 102314657
1-morpholin-4-yl-3-phenylpropan-1-one
CID 532825
N-(4-benzyl-4-morpholin-4-ylcyclohexyl)-4-morpholin-4-yl-4-oxobutanamide;N-(4-benzyl-4-morpholin-4-ylcyclohexyl)-4-oxo-4-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]butanamide
CID 158083609
7-amino-1-(2-benzylpyrrolidin-1-yl)heptan-1-one
CID 60940295
tert-butyl (2S)-2-benzylpiperidine-1-carboxylate
CID 94006022
tert-butyl (2R)-2-benzylpiperidine-1-carboxylate
CID 67726841
1-[2-[(2S)-2-benzylpiperidin-1-yl]-2-oxoethyl]pyridin-2-one
CID 95298452
2-(1-aminocyclobutyl)-1-(2-benzylpyrrolidin-1-yl)ethanone
CID 79854779
2-(2-benzylpiperidine-1-carbonyl)cyclopropane-1-carboxylic acid
CID 119183550

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-benzylpiperidin-1-yl]-4-morpholin-4-ylbutane-1,4-dione?
The IUPAC name of 1-[(2R)-2-benzylpiperidin-1-yl]-4-morpholin-4-ylbutane-1,4-dione (CID 97015300) is 1-[(2R)-2-benzylpiperidin-1-yl]-4-morpholin-4-ylbutane-1,4-dione.
What is the SMILES notation for 1-[(2R)-2-benzylpiperidin-1-yl]-4-morpholin-4-ylbutane-1,4-dione?
The canonical SMILES for 1-[(2R)-2-benzylpiperidin-1-yl]-4-morpholin-4-ylbutane-1,4-dione is O=C(CCC(=O)N1CCCC[C@@H]1Cc1ccccc1)N1CCOCC1.
What is the InChIKey of 1-[(2R)-2-benzylpiperidin-1-yl]-4-morpholin-4-ylbutane-1,4-dione?
The InChIKey is MHTYKFIZWDSKQY-GOSISDBHSA-N. The full InChI is InChI=1S/C20H28N2O3/c23-19(21-12-14-25-15-13-21)9-10-20(24)22-11-5-4-8-18(22)16-17-6-2-1-3-7-17/h1-3,6-7,18H,4-5,8-16H2/t18-/m1/s1.
What are the key properties of 1-[(2R)-2-benzylpiperidin-1-yl]-4-morpholin-4-ylbutane-1,4-dione?
1-[(2R)-2-benzylpiperidin-1-yl]-4-morpholin-4-ylbutane-1,4-dione has a molecular weight of 344.46 g/mol, XLogP of 2.25, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-benzylpiperidin-1-yl]-4-morpholin-4-ylbutane-1,4-dione is sourced from PubChem (CID 97015300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).