1-[3-chloro-4-(3-phenylpyrrolidin-1-yl)phenyl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone

C27H35ClN2O — CID 158302652

IUPAC1-[3-chloro-4-(3-phenylpyrrolidin-1-yl)phenyl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone
SMILESCC1(C)CC(CC(=O)c2ccc(N3CCC(c4ccccc4)C3)c(Cl)c2)CC(C)(C)N1
InChIInChI=1S/C27H35ClN2O/c1-26(2)16-19(17-27(3,4)29-26)14-25(31)21-10-11-24(23(28)15-21)30-13-12-22(18-30)20-8-6-5-7-9-20/h5-11,15,19,22,29H,12-14,16-18H2,1-4H3
InChIKeyGMRJEXMPUJZNPE-UHFFFAOYSA-N
MW439.04 g/mol
LogP6.46
Rot. Bonds5

About 1-[3-chloro-4-(3-phenylpyrrolidin-1-yl)phenyl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone

1-[3-chloro-4-(3-phenylpyrrolidin-1-yl)phenyl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone (PubChem CID 158302652) has the molecular formula C27H35ClN2O and a molecular weight of 439.04 g/mol. Its IUPAC name is 1-[3-chloro-4-(3-phenylpyrrolidin-1-yl)phenyl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone.

Molecular Properties

Compound Name1-[3-chloro-4-(3-phenylpyrrolidin-1-yl)phenyl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone
PubChem CID158302652
Molecular FormulaC27H35ClN2O
Molecular Weight439.04 g/mol
Exact Mass438.24
IUPAC Name1-[3-chloro-4-(3-phenylpyrrolidin-1-yl)phenyl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone
SMILESCC1(C)CC(CC(=O)c2ccc(N3CCC(c4ccccc4)C3)c(Cl)c2)CC(C)(C)N1
InChIInChI=1S/C27H35ClN2O/c1-26(2)16-19(17-27(3,4)29-26)14-25(31)21-10-11-24(23(28)15-21)30-13-12-22(18-30)20-8-6-5-7-9-20/h5-11,15,19,22,29H,12-14,16-18H2,1-4H3
InChIKeyGMRJEXMPUJZNPE-UHFFFAOYSA-N
XLogP6.46
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.04
LogP ≤ 56.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[3-chloro-4-(3-phenylpyrrolidin-1-yl)phenyl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-4-(3-phenylpyrrolidin-1-yl)benzenecarbothioamide
CID 63088319
4-(3-tert-butylpyrrolidin-1-yl)-3-chlorobenzoic acid
CID 113417943
2-chloro-4-(3-phenylpyrrolidin-1-yl)benzoic acid
CID 62946081
3-chloro-4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)benzoic acid
CID 79170793
1-[5-fluoro-2-(3-phenylpyrrolidin-1-yl)phenyl]ethanone
CID 62132108
1-[3-chloro-4-[3-(methoxymethyl)pyrrolidin-1-yl]phenyl]ethanone
CID 64599153
5-amino-2-(3-phenylpyrrolidin-1-yl)benzamide
CID 62131789
1-[4-(2-methylphenoxy)phenyl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone
CID 160597039
3-methyl-4-(3-phenylazetidin-1-yl)benzoic acid
CID 79686617
4-[3-(aminomethyl)pyrrolidin-1-yl]-3-chlorobenzamide
CID 63092289
1-(2-chloro-4-nitrophenyl)-4-phenylpiperidine
CID 13176085
1-(4-chlorophenyl)-2-[4-(1-phenylpyrrolidin-3-yl)phenyl]ethanone
CID 58315701

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-4-(3-phenylpyrrolidin-1-yl)phenyl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone?
The IUPAC name of 1-[3-chloro-4-(3-phenylpyrrolidin-1-yl)phenyl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone (CID 158302652) is 1-[3-chloro-4-(3-phenylpyrrolidin-1-yl)phenyl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone.
What is the SMILES notation for 1-[3-chloro-4-(3-phenylpyrrolidin-1-yl)phenyl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone?
The canonical SMILES for 1-[3-chloro-4-(3-phenylpyrrolidin-1-yl)phenyl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone is CC1(C)CC(CC(=O)c2ccc(N3CCC(c4ccccc4)C3)c(Cl)c2)CC(C)(C)N1.
What is the InChIKey of 1-[3-chloro-4-(3-phenylpyrrolidin-1-yl)phenyl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone?
The InChIKey is GMRJEXMPUJZNPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35ClN2O/c1-26(2)16-19(17-27(3,4)29-26)14-25(31)21-10-11-24(23(28)15-21)30-13-12-22(18-30)20-8-6-5-7-9-20/h5-11,15,19,22,29H,12-14,16-18H2,1-4H3.
What are the key properties of 1-[3-chloro-4-(3-phenylpyrrolidin-1-yl)phenyl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone?
1-[3-chloro-4-(3-phenylpyrrolidin-1-yl)phenyl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone has a molecular weight of 439.04 g/mol, XLogP of 6.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-4-(3-phenylpyrrolidin-1-yl)phenyl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone is sourced from PubChem (CID 158302652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).