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

C22H27N3O2 — CID 1186382

IUPAC(4-benzhydrylpiperazin-1-yl)-morpholin-4-ylmethanone
SMILESO=C(N1CCOCC1)N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C22H27N3O2/c26-22(25-15-17-27-18-16-25)24-13-11-23(12-14-24)21(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-10,21H,11-18H2
InChIKeyIIEQLQKYHTVUKG-UHFFFAOYSA-N
MW365.48 g/mol
LogP2.85
Rot. Bonds3

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

(4-benzhydrylpiperazin-1-yl)-morpholin-4-ylmethanone (PubChem CID 1186382) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is (4-benzhydrylpiperazin-1-yl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(4-benzhydrylpiperazin-1-yl)-morpholin-4-ylmethanone
PubChem CID1186382
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name(4-benzhydrylpiperazin-1-yl)-morpholin-4-ylmethanone
SMILESO=C(N1CCOCC1)N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C22H27N3O2/c26-22(25-15-17-27-18-16-25)24-13-11-23(12-14-24)21(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-10,21H,11-18H2
InChIKeyIIEQLQKYHTVUKG-UHFFFAOYSA-N
XLogP2.85
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-benzhydrylpiperazin-1-yl)-morpholin-4-ylmethanone?
The IUPAC name of (4-benzhydrylpiperazin-1-yl)-morpholin-4-ylmethanone (CID 1186382) is (4-benzhydrylpiperazin-1-yl)-morpholin-4-ylmethanone.
What is the SMILES notation for (4-benzhydrylpiperazin-1-yl)-morpholin-4-ylmethanone?
The canonical SMILES for (4-benzhydrylpiperazin-1-yl)-morpholin-4-ylmethanone is O=C(N1CCOCC1)N1CCN(C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of (4-benzhydrylpiperazin-1-yl)-morpholin-4-ylmethanone?
The InChIKey is IIEQLQKYHTVUKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c26-22(25-15-17-27-18-16-25)24-13-11-23(12-14-24)21(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-10,21H,11-18H2.
What are the key properties of (4-benzhydrylpiperazin-1-yl)-morpholin-4-ylmethanone?
(4-benzhydrylpiperazin-1-yl)-morpholin-4-ylmethanone has a molecular weight of 365.48 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzhydrylpiperazin-1-yl)-morpholin-4-ylmethanone is sourced from PubChem (CID 1186382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).