(4-benzylpiperazin-1-yl)-morpholin-4-ylmethanone

C16H23N3O2 — CID 651117

IUPAC(4-benzylpiperazin-1-yl)-morpholin-4-ylmethanone
SMILESO=C(N1CCOCC1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C16H23N3O2/c20-16(19-10-12-21-13-11-19)18-8-6-17(7-9-18)14-15-4-2-1-3-5-15/h1-5H,6-14H2
InChIKeyKBXUXGAWLUBXEX-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.26
Rot. Bonds2

About (4-benzylpiperazin-1-yl)-morpholin-4-ylmethanone

(4-benzylpiperazin-1-yl)-morpholin-4-ylmethanone (PubChem CID 651117) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is (4-benzylpiperazin-1-yl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(4-benzylpiperazin-1-yl)-morpholin-4-ylmethanone
PubChem CID651117
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name(4-benzylpiperazin-1-yl)-morpholin-4-ylmethanone
SMILESO=C(N1CCOCC1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C16H23N3O2/c20-16(19-10-12-21-13-11-19)18-8-6-17(7-9-18)14-15-4-2-1-3-5-15/h1-5H,6-14H2
InChIKeyKBXUXGAWLUBXEX-UHFFFAOYSA-N
XLogP1.26
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-methylmorpholine-4-carboxamide
CID 669645
N-benzylmorpholine-4-carboxamide
CID 760018
Dimorpholinophenylmethane
CID 80899
4-(2,6-Dimethylphenyl)piperazinyl morpholin-4-yl ketone
CID 899206
N-(diphenylmethyl)morpholin-4-ylcarboxamide
CID 1538456
4-(Morpholino(4-(2-phenylethynyl)phenyl)methyl)morpholine
CID 623968
[4-(4-Methylphenyl)piperazin-1-yl]-morpholin-4-ylmethanone
CID 57819796
N-(1-phenylethyl)morpholine-4-carboxamide
CID 3136314
4-(4-Ethylphenyl)piperazinyl morpholin-4-yl ketone
CID 977118
(9-benzyl-3,9-diazaspiro[5.5]undecan-3-yl)-(3H-1,2-oxazol-2-yl)methanone
CID 52947416
[4-[(4-Chlorophenyl)methyl]piperazin-1-yl]-morpholin-4-ylmethanone
CID 76321041
4,4'-[1,4-Phenylenebis(methylene)]dimorpholine
CID 250932

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperazin-1-yl)-morpholin-4-ylmethanone?
The IUPAC name of (4-benzylpiperazin-1-yl)-morpholin-4-ylmethanone (CID 651117) is (4-benzylpiperazin-1-yl)-morpholin-4-ylmethanone.
What is the SMILES notation for (4-benzylpiperazin-1-yl)-morpholin-4-ylmethanone?
The canonical SMILES for (4-benzylpiperazin-1-yl)-morpholin-4-ylmethanone is O=C(N1CCOCC1)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of (4-benzylpiperazin-1-yl)-morpholin-4-ylmethanone?
The InChIKey is KBXUXGAWLUBXEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c20-16(19-10-12-21-13-11-19)18-8-6-17(7-9-18)14-15-4-2-1-3-5-15/h1-5H,6-14H2.
What are the key properties of (4-benzylpiperazin-1-yl)-morpholin-4-ylmethanone?
(4-benzylpiperazin-1-yl)-morpholin-4-ylmethanone has a molecular weight of 289.38 g/mol, XLogP of 1.26, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperazin-1-yl)-morpholin-4-ylmethanone is sourced from PubChem (CID 651117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).