1-(4-benzylpiperidin-1-yl)-2-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]propan-1-one

C27H41N3O3 — CID 55832301

IUPAC1-(4-benzylpiperidin-1-yl)-2-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]propan-1-one
SMILESCC1CN(C(=O)C2CCN(C(C)C(=O)N3CCC(Cc4ccccc4)CC3)CC2)CC(C)O1
InChIInChI=1S/C27H41N3O3/c1-20-18-30(19-21(2)33-20)27(32)25-11-15-28(16-12-25)22(3)26(31)29-13-9-24(10-14-29)17-23-7-5-4-6-8-23/h4-8,20-22,24-25H,9-19H2,1-3H3
InChIKeyGHDAKSVFIAIWQI-UHFFFAOYSA-N
MW455.64 g/mol
LogP3.20
Rot. Bonds5

About 1-(4-benzylpiperidin-1-yl)-2-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]propan-1-one

1-(4-benzylpiperidin-1-yl)-2-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]propan-1-one (PubChem CID 55832301) has the molecular formula C27H41N3O3 and a molecular weight of 455.64 g/mol. Its IUPAC name is 1-(4-benzylpiperidin-1-yl)-2-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-(4-benzylpiperidin-1-yl)-2-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]propan-1-one
PubChem CID55832301
Molecular FormulaC27H41N3O3
Molecular Weight455.64 g/mol
Exact Mass455.31
IUPAC Name1-(4-benzylpiperidin-1-yl)-2-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]propan-1-one
SMILESCC1CN(C(=O)C2CCN(C(C)C(=O)N3CCC(Cc4ccccc4)CC3)CC2)CC(C)O1
InChIInChI=1S/C27H41N3O3/c1-20-18-30(19-21(2)33-20)27(32)25-11-15-28(16-12-25)22(3)26(31)29-13-9-24(10-14-29)17-23-7-5-4-6-8-23/h4-8,20-22,24-25H,9-19H2,1-3H3
InChIKeyGHDAKSVFIAIWQI-UHFFFAOYSA-N
XLogP3.20
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.64
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(4-benzylpiperidin-1-yl)-2-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]propan-1-one with MolForge

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Related Compounds

1-[2-(4-benzylpiperidin-1-yl)propanoyl]piperidine-4-carboxylic acid
CID 119349611
1-(azepan-1-yl)-2-(4-benzylpiperidin-1-yl)propan-1-one
CID 13345092
(3R)-1-[(2S)-1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]pyrrolidine-3-carboxamide
CID 100840635
1-(2,6-dimethylmorpholin-4-yl)-2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]propan-1-one
CID 60502228
2-(4-benzylpiperidin-1-yl)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]propan-1-one
CID 110023755
2-(4-benzylpiperidin-1-yl)-1-[4-(ethylaminomethyl)piperidin-1-yl]propan-1-one;dihydrochloride
CID 119646213
2-(4-benzylpiperidin-1-yl)-1-[3-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one;dihydrochloride
CID 119540343
4-[2-(4-benzylpiperidin-1-yl)propanoyl]-1,4-diazepane-1-carboxamide
CID 136524901
(2R)-1-(4-benzylpiperidin-1-yl)-2-[4-(2-chlorobenzoyl)piperazin-1-yl]propan-1-one
CID 34894788
2-(4-benzylpiperidin-1-yl)propanoic acid
CID 20986530
(2R)-1-(4-benzylpiperidin-1-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 9445663
N-(4-tert-butylphenyl)-2-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]propanamide
CID 55832940

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylpiperidin-1-yl)-2-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]propan-1-one?
The IUPAC name of 1-(4-benzylpiperidin-1-yl)-2-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]propan-1-one (CID 55832301) is 1-(4-benzylpiperidin-1-yl)-2-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-(4-benzylpiperidin-1-yl)-2-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 1-(4-benzylpiperidin-1-yl)-2-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]propan-1-one is CC1CN(C(=O)C2CCN(C(C)C(=O)N3CCC(Cc4ccccc4)CC3)CC2)CC(C)O1.
What is the InChIKey of 1-(4-benzylpiperidin-1-yl)-2-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]propan-1-one?
The InChIKey is GHDAKSVFIAIWQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H41N3O3/c1-20-18-30(19-21(2)33-20)27(32)25-11-15-28(16-12-25)22(3)26(31)29-13-9-24(10-14-29)17-23-7-5-4-6-8-23/h4-8,20-22,24-25H,9-19H2,1-3H3.
What are the key properties of 1-(4-benzylpiperidin-1-yl)-2-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]propan-1-one?
1-(4-benzylpiperidin-1-yl)-2-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]propan-1-one has a molecular weight of 455.64 g/mol, XLogP of 3.20, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzylpiperidin-1-yl)-2-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 55832301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).