1-[3-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]pyrrolidin-1-yl]-2,2-diphenylpropan-1-one

C31H36ClN3O — CID 143256935

IUPAC1-[3-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]pyrrolidin-1-yl]-2,2-diphenylpropan-1-one
SMILESCC(C(=O)N1CCC(CN2CCN(Cc3ccc(Cl)cc3)CC2)C1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C31H36ClN3O/c1-31(27-8-4-2-5-9-27,28-10-6-3-7-11-28)30(36)35-17-16-26(24-35)23-34-20-18-33(19-21-34)22-25-12-14-29(32)15-13-25/h2-15,26H,16-24H2,1H3
InChIKeyCFCNRQYOULSSJQ-UHFFFAOYSA-N
MW502.10 g/mol
LogP5.31
Rot. Bonds7

About 1-[3-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]pyrrolidin-1-yl]-2,2-diphenylpropan-1-one

1-[3-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]pyrrolidin-1-yl]-2,2-diphenylpropan-1-one (PubChem CID 143256935) has the molecular formula C31H36ClN3O and a molecular weight of 502.10 g/mol. Its IUPAC name is 1-[3-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]pyrrolidin-1-yl]-2,2-diphenylpropan-1-one.

Molecular Properties

Compound Name1-[3-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]pyrrolidin-1-yl]-2,2-diphenylpropan-1-one
PubChem CID143256935
Molecular FormulaC31H36ClN3O
Molecular Weight502.10 g/mol
Exact Mass501.25
IUPAC Name1-[3-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]pyrrolidin-1-yl]-2,2-diphenylpropan-1-one
SMILESCC(C(=O)N1CCC(CN2CCN(Cc3ccc(Cl)cc3)CC2)C1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C31H36ClN3O/c1-31(27-8-4-2-5-9-27,28-10-6-3-7-11-28)30(36)35-17-16-26(24-35)23-34-20-18-33(19-21-34)22-25-12-14-29(32)15-13-25/h2-15,26H,16-24H2,1H3
InChIKeyCFCNRQYOULSSJQ-UHFFFAOYSA-N
XLogP5.31
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.10
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[3-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]pyrrolidin-1-yl]-2,2-diphenylpropan-1-one with MolForge

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Related Compounds

[4-[(4-benzylpiperazin-1-yl)methyl]piperidin-1-yl]-phenylmethanone
CID 110284785
1-[3-[(4-hydroxyphenyl)methyl]pyrrolidin-1-yl]-2-methyl-2-phenylpropan-1-one
CID 166612520
[4-[(4-benzylpiperazin-1-yl)methyl]piperidin-1-yl]-(2-methylphenyl)methanone
CID 110284786
1-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 142714451
1-(4-benzylpiperazin-1-yl)-2,2-dimethyl-3-(3-methylpiperidin-1-yl)propane-1,3-dione
CID 108964806
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide
CID 47990926
2-amino-1-[3-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]-2-phenylpropan-1-one;hydrochloride
CID 120592459
1-[4-(cyclopropylmethyl)piperazin-1-yl]-2-phenylpropan-2-ol
CID 62373658
2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N,N-diphenylacetamide
CID 143117973
3-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]propanoic acid
CID 62216848
4-(4-chlorophenyl)-3,3-dimethyl-1-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one
CID 126802070
1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-cyclopentylethanone
CID 112764711

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]pyrrolidin-1-yl]-2,2-diphenylpropan-1-one?
The IUPAC name of 1-[3-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]pyrrolidin-1-yl]-2,2-diphenylpropan-1-one (CID 143256935) is 1-[3-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]pyrrolidin-1-yl]-2,2-diphenylpropan-1-one.
What is the SMILES notation for 1-[3-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]pyrrolidin-1-yl]-2,2-diphenylpropan-1-one?
The canonical SMILES for 1-[3-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]pyrrolidin-1-yl]-2,2-diphenylpropan-1-one is CC(C(=O)N1CCC(CN2CCN(Cc3ccc(Cl)cc3)CC2)C1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-[3-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]pyrrolidin-1-yl]-2,2-diphenylpropan-1-one?
The InChIKey is CFCNRQYOULSSJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36ClN3O/c1-31(27-8-4-2-5-9-27,28-10-6-3-7-11-28)30(36)35-17-16-26(24-35)23-34-20-18-33(19-21-34)22-25-12-14-29(32)15-13-25/h2-15,26H,16-24H2,1H3.
What are the key properties of 1-[3-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]pyrrolidin-1-yl]-2,2-diphenylpropan-1-one?
1-[3-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]pyrrolidin-1-yl]-2,2-diphenylpropan-1-one has a molecular weight of 502.10 g/mol, XLogP of 5.31, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]pyrrolidin-1-yl]-2,2-diphenylpropan-1-one is sourced from PubChem (CID 143256935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).