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

C22H27N3O — CID 27087822

IUPAC(4-benzhydrylpiperazin-1-yl)-pyrrolidin-1-ylmethanone
SMILESO=C(N1CCCC1)N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C22H27N3O/c26-22(24-13-7-8-14-24)25-17-15-23(16-18-25)21(19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-6,9-12,21H,7-8,13-18H2
InChIKeyAXOHVCMPDQSTAL-UHFFFAOYSA-N
MW349.48 g/mol
LogP3.61
Rot. Bonds3

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

(4-benzhydrylpiperazin-1-yl)-pyrrolidin-1-ylmethanone (PubChem CID 27087822) has the molecular formula C22H27N3O and a molecular weight of 349.48 g/mol. Its IUPAC name is (4-benzhydrylpiperazin-1-yl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(4-benzhydrylpiperazin-1-yl)-pyrrolidin-1-ylmethanone
PubChem CID27087822
Molecular FormulaC22H27N3O
Molecular Weight349.48 g/mol
Exact Mass349.22
IUPAC Name(4-benzhydrylpiperazin-1-yl)-pyrrolidin-1-ylmethanone
SMILESO=C(N1CCCC1)N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C22H27N3O/c26-22(24-13-7-8-14-24)25-17-15-23(16-18-25)21(19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-6,9-12,21H,7-8,13-18H2
InChIKeyAXOHVCMPDQSTAL-UHFFFAOYSA-N
XLogP3.61
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

bis(4-benzhydrylpiperazin-1-yl)methanone
CID 17170426
4-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoacetyl]piperazine-1-carbaldehyde
CID 108504777
1-(4-benzhydrylpiperazin-1-yl)-2-bromoethanone
CID 86008397
1-(4-benzhydrylpiperazin-1-yl)-3,3-diphenylpropan-1-one;hydrochloride
CID 119057587
2-amino-1-(4-benzhydrylpiperazin-1-yl)ethanone;dihydrochloride
CID 119826687
4-benzhydryl-N-[4-[(4-benzhydrylpiperazine-1-carbonyl)amino]phenyl]piperazine-1-carboxamide
CID 43834011
(1-benzhydrylazetidin-3-yl)-piperidin-1-ylmethanone
CID 131875139
(1-aminocyclopentyl)-(4-benzhydrylpiperazin-1-yl)methanone
CID 119826679
1-(4-benzhydrylpiperazin-1-yl)-4,4-diphenylbutan-1-one
CID 11842614
1-benzhydryl-4-(2-piperidin-1-ylethyl)piperazine;oxalic acid
CID 71411854
(4-benzhydrylpiperazin-1-yl)-(benzotriazol-1-yl)methanone
CID 71453311
1-(4-benzhydrylpiperazin-1-yl)-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononan-1-one
CID 4286754

Frequently Asked Questions

What is the IUPAC name of (4-benzhydrylpiperazin-1-yl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (4-benzhydrylpiperazin-1-yl)-pyrrolidin-1-ylmethanone (CID 27087822) is (4-benzhydrylpiperazin-1-yl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (4-benzhydrylpiperazin-1-yl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (4-benzhydrylpiperazin-1-yl)-pyrrolidin-1-ylmethanone is O=C(N1CCCC1)N1CCN(C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of (4-benzhydrylpiperazin-1-yl)-pyrrolidin-1-ylmethanone?
The InChIKey is AXOHVCMPDQSTAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O/c26-22(24-13-7-8-14-24)25-17-15-23(16-18-25)21(19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-6,9-12,21H,7-8,13-18H2.
What are the key properties of (4-benzhydrylpiperazin-1-yl)-pyrrolidin-1-ylmethanone?
(4-benzhydrylpiperazin-1-yl)-pyrrolidin-1-ylmethanone has a molecular weight of 349.48 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzhydrylpiperazin-1-yl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 27087822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).