(4-benzylpiperazin-1-yl)-(4-cyclopropyl-3-phenylmorpholin-2-yl)methanone

C25H31N3O2 — CID 171142040

IUPAC(4-benzylpiperazin-1-yl)-(4-cyclopropyl-3-phenylmorpholin-2-yl)methanone
SMILESO=C(C1OCCN(C2CC2)C1c1ccccc1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C25H31N3O2/c29-25(27-15-13-26(14-16-27)19-20-7-3-1-4-8-20)24-23(21-9-5-2-6-10-21)28(17-18-30-24)22-11-12-22/h1-10,22-24H,11-19H2
InChIKeyAEYFRSHVROLUFT-UHFFFAOYSA-N
MW405.54 g/mol
LogP2.94
Rot. Bonds5

About (4-benzylpiperazin-1-yl)-(4-cyclopropyl-3-phenylmorpholin-2-yl)methanone

(4-benzylpiperazin-1-yl)-(4-cyclopropyl-3-phenylmorpholin-2-yl)methanone (PubChem CID 171142040) has the molecular formula C25H31N3O2 and a molecular weight of 405.54 g/mol. Its IUPAC name is (4-benzylpiperazin-1-yl)-(4-cyclopropyl-3-phenylmorpholin-2-yl)methanone.

Molecular Properties

Compound Name(4-benzylpiperazin-1-yl)-(4-cyclopropyl-3-phenylmorpholin-2-yl)methanone
PubChem CID171142040
Molecular FormulaC25H31N3O2
Molecular Weight405.54 g/mol
Exact Mass405.24
IUPAC Name(4-benzylpiperazin-1-yl)-(4-cyclopropyl-3-phenylmorpholin-2-yl)methanone
SMILESO=C(C1OCCN(C2CC2)C1c1ccccc1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C25H31N3O2/c29-25(27-15-13-26(14-16-27)19-20-7-3-1-4-8-20)24-23(21-9-5-2-6-10-21)28(17-18-30-24)22-11-12-22/h1-10,22-24H,11-19H2
InChIKeyAEYFRSHVROLUFT-UHFFFAOYSA-N
XLogP2.94
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.54
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5R,6S)-6-(4-benzylpiperazine-1-carbonyl)-5-phenylmorpholin-3-one
CID 134701048
(4-benzyl-1,4-diazepan-1-yl)-cyclopentylmethanone
CID 23939190
(5R,6R)-6-(4-benzylpiperazine-1-carbonyl)-5-(2-fluorophenyl)-4-methylmorpholin-3-one
CID 95739747
[3-(4-benzylpiperazine-1-carbonyl)-5-phenylpiperidin-1-yl]-cyclopropylmethanone
CID 42865330
(1S,2S,3R,4R)-3-(4-benzylpiperazine-1-carbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 51012041
1-(4-benzylpiperazin-1-yl)-2-[4-(morpholine-4-carbonyl)piperidin-1-yl]ethanone
CID 55446651
(5S,6R)-6-(4-ethylpiperazine-1-carbonyl)-4-methyl-5-phenylmorpholin-3-one
CID 95738132
1,3-bis(4-benzylpiperazin-1-yl)propane-1,3-dione
CID 13023421
2-[4-(4-benzylpiperazine-1-carbonyl)piperidin-1-yl]acetamide
CID 16909130
(4-aminooxolan-3-yl)-(4-benzylpiperazin-1-yl)methanone
CID 66240985
1-[4-(4-benzylpiperazine-1-carbonyl)piperidin-1-yl]propan-1-one
CID 46779037
(1R,2S,3R,4R)-3-(4-benzylpiperazine-1-carbonyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 99872547

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperazin-1-yl)-(4-cyclopropyl-3-phenylmorpholin-2-yl)methanone?
The IUPAC name of (4-benzylpiperazin-1-yl)-(4-cyclopropyl-3-phenylmorpholin-2-yl)methanone (CID 171142040) is (4-benzylpiperazin-1-yl)-(4-cyclopropyl-3-phenylmorpholin-2-yl)methanone.
What is the SMILES notation for (4-benzylpiperazin-1-yl)-(4-cyclopropyl-3-phenylmorpholin-2-yl)methanone?
The canonical SMILES for (4-benzylpiperazin-1-yl)-(4-cyclopropyl-3-phenylmorpholin-2-yl)methanone is O=C(C1OCCN(C2CC2)C1c1ccccc1)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of (4-benzylpiperazin-1-yl)-(4-cyclopropyl-3-phenylmorpholin-2-yl)methanone?
The InChIKey is AEYFRSHVROLUFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O2/c29-25(27-15-13-26(14-16-27)19-20-7-3-1-4-8-20)24-23(21-9-5-2-6-10-21)28(17-18-30-24)22-11-12-22/h1-10,22-24H,11-19H2.
What are the key properties of (4-benzylpiperazin-1-yl)-(4-cyclopropyl-3-phenylmorpholin-2-yl)methanone?
(4-benzylpiperazin-1-yl)-(4-cyclopropyl-3-phenylmorpholin-2-yl)methanone has a molecular weight of 405.54 g/mol, XLogP of 2.94, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperazin-1-yl)-(4-cyclopropyl-3-phenylmorpholin-2-yl)methanone is sourced from PubChem (CID 171142040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).