(4-benzhydrylpiperazin-1-yl)-(3-phenylpyrrolidin-2-yl)methanone

C28H31N3O — CID 23531937

IUPAC(4-benzhydrylpiperazin-1-yl)-(3-phenylpyrrolidin-2-yl)methanone
SMILESO=C(C1NCCC1c1ccccc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C28H31N3O/c32-28(26-25(16-17-29-26)22-10-4-1-5-11-22)31-20-18-30(19-21-31)27(23-12-6-2-7-13-23)24-14-8-3-9-15-24/h1-15,25-27,29H,16-21H2
InChIKeyPGMKUQHSLGQJKK-UHFFFAOYSA-N
MW425.58 g/mol
LogP4.07
Rot. Bonds5

About (4-benzhydrylpiperazin-1-yl)-(3-phenylpyrrolidin-2-yl)methanone

(4-benzhydrylpiperazin-1-yl)-(3-phenylpyrrolidin-2-yl)methanone (PubChem CID 23531937) has the molecular formula C28H31N3O and a molecular weight of 425.58 g/mol. Its IUPAC name is (4-benzhydrylpiperazin-1-yl)-(3-phenylpyrrolidin-2-yl)methanone.

Molecular Properties

Compound Name(4-benzhydrylpiperazin-1-yl)-(3-phenylpyrrolidin-2-yl)methanone
PubChem CID23531937
Molecular FormulaC28H31N3O
Molecular Weight425.58 g/mol
Exact Mass425.25
IUPAC Name(4-benzhydrylpiperazin-1-yl)-(3-phenylpyrrolidin-2-yl)methanone
SMILESO=C(C1NCCC1c1ccccc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C28H31N3O/c32-28(26-25(16-17-29-26)22-10-4-1-5-11-22)31-20-18-30(19-21-31)27(23-12-6-2-7-13-23)24-14-8-3-9-15-24/h1-15,25-27,29H,16-21H2
InChIKeyPGMKUQHSLGQJKK-UHFFFAOYSA-N
XLogP4.07
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.58
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(4-benzhydrylpiperazin-1-yl)-3-phenylpyrrolidine-2-carboxamide
CID 86585769
(2R,3R)-3-phenylpyrrolidine-2-carboxylic acid;hydrochloride
CID 131632798
bis(4-benzhydrylpiperazin-1-yl)methanone
CID 17170426
(4-benzhydrylpiperazin-1-yl)-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanone
CID 59903373
2-methyl-1-[(2S,3R)-3-phenylpyrrolidin-2-yl]propan-1-one
CID 59054861
2-methyl-1-[(2S,3S)-3-phenylpyrrolidin-2-yl]propan-1-one
CID 59969688
[4-(oxolan-3-yl)piperazin-1-yl]-(3-phenylpiperidin-2-yl)methanone
CID 136573857
(4-benzhydrylpiperazin-1-yl)-pyrrolidin-1-ylmethanone
CID 27087822
2-amino-1-(4-benzhydrylpiperazin-1-yl)ethanone;dihydrochloride
CID 119826687
3-(4-benzhydrylpiperazine-1-carbonyl)-1,4-thiazepan-5-one
CID 71798002
(4-benzhydrylpiperazin-1-yl)-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methanone
CID 2903813
3-(4-benzhydrylpiperazine-1-carbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 2862936

Frequently Asked Questions

What is the IUPAC name of (4-benzhydrylpiperazin-1-yl)-(3-phenylpyrrolidin-2-yl)methanone?
The IUPAC name of (4-benzhydrylpiperazin-1-yl)-(3-phenylpyrrolidin-2-yl)methanone (CID 23531937) is (4-benzhydrylpiperazin-1-yl)-(3-phenylpyrrolidin-2-yl)methanone.
What is the SMILES notation for (4-benzhydrylpiperazin-1-yl)-(3-phenylpyrrolidin-2-yl)methanone?
The canonical SMILES for (4-benzhydrylpiperazin-1-yl)-(3-phenylpyrrolidin-2-yl)methanone is O=C(C1NCCC1c1ccccc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of (4-benzhydrylpiperazin-1-yl)-(3-phenylpyrrolidin-2-yl)methanone?
The InChIKey is PGMKUQHSLGQJKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3O/c32-28(26-25(16-17-29-26)22-10-4-1-5-11-22)31-20-18-30(19-21-31)27(23-12-6-2-7-13-23)24-14-8-3-9-15-24/h1-15,25-27,29H,16-21H2.
What are the key properties of (4-benzhydrylpiperazin-1-yl)-(3-phenylpyrrolidin-2-yl)methanone?
(4-benzhydrylpiperazin-1-yl)-(3-phenylpyrrolidin-2-yl)methanone has a molecular weight of 425.58 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzhydrylpiperazin-1-yl)-(3-phenylpyrrolidin-2-yl)methanone is sourced from PubChem (CID 23531937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).