2-(3-chlorophenyl)-1-(1'-methylspiro[3,5-dihydro-1H-2-benzazepine-4,3'-piperidine]-2-yl)ethanone

C23H27ClN2O — CID 134789561

IUPAC2-(3-chlorophenyl)-1-(1'-methylspiro[3,5-dihydro-1H-2-benzazepine-4,3'-piperidine]-2-yl)ethanone
SMILESCN1CCCC2(Cc3ccccc3CN(C(=O)Cc3cccc(Cl)c3)C2)C1
InChIInChI=1S/C23H27ClN2O/c1-25-11-5-10-23(16-25)14-19-7-2-3-8-20(19)15-26(17-23)22(27)13-18-6-4-9-21(24)12-18/h2-4,6-9,12H,5,10-11,13-17H2,1H3
InChIKeyKUVJRKUGMVZPRG-UHFFFAOYSA-N
MW382.94 g/mol
LogP4.18
Rot. Bonds2

About 2-(3-chlorophenyl)-1-(1'-methylspiro[3,5-dihydro-1H-2-benzazepine-4,3'-piperidine]-2-yl)ethanone

2-(3-chlorophenyl)-1-(1'-methylspiro[3,5-dihydro-1H-2-benzazepine-4,3'-piperidine]-2-yl)ethanone (PubChem CID 134789561) has the molecular formula C23H27ClN2O and a molecular weight of 382.94 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-1-(1'-methylspiro[3,5-dihydro-1H-2-benzazepine-4,3'-piperidine]-2-yl)ethanone.

Molecular Properties

Compound Name2-(3-chlorophenyl)-1-(1'-methylspiro[3,5-dihydro-1H-2-benzazepine-4,3'-piperidine]-2-yl)ethanone
PubChem CID134789561
Molecular FormulaC23H27ClN2O
Molecular Weight382.94 g/mol
Exact Mass382.18
IUPAC Name2-(3-chlorophenyl)-1-(1'-methylspiro[3,5-dihydro-1H-2-benzazepine-4,3'-piperidine]-2-yl)ethanone
SMILESCN1CCCC2(Cc3ccccc3CN(C(=O)Cc3cccc(Cl)c3)C2)C1
InChIInChI=1S/C23H27ClN2O/c1-25-11-5-10-23(16-25)14-19-7-2-3-8-20(19)15-26(17-23)22(27)13-18-6-4-9-21(24)12-18/h2-4,6-9,12H,5,10-11,13-17H2,1H3
InChIKeyKUVJRKUGMVZPRG-UHFFFAOYSA-N
XLogP4.18
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.94
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(3-chlorophenyl)-1-(1'-methylspiro[3,5-dihydro-1H-2-benzazepine-4,3'-piperidine]-2-yl)ethanone with MolForge

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Related Compounds

(4-Benzylpiperidin-1-yl)(3-chlorophenyl)methanone
CID 814705
1-[4-[4-[(3-Chlorophenyl)methyl]piperidin-1-yl]piperidin-1-yl]-2-(2-methylphenyl)ethanone
CID 44389747
4-[4-(acetylmethyl-amino)-piperidin-1-yl]-N-(2-chloro-benzyl)-2-(3,4-dichlorophenyl)-2,N-dimethylbutyramide
CID 44550460
[9-[(3-Chlorophenyl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]-phenylmethanone
CID 52942458
Spiro-carboxamide scaffold, 4
CID 44143290
1-[(3-chlorophenyl)methyl]-N-methyl-N-(phenylmethyl)-3-piperidinecarboxamide
CID 3500831
N-Benzyl-2-[(3R,4S)-4-(4-chloro-phenyl)-1-methyl-piperidin-3-yl]-N-methyl-acetamide
CID 9976459
N-(1-Benzyl-piperidin-4-yl)-2-(3-chloro-phenyl)-acetamide
CID 10712370
3-[(3R,4R)-1-(3-Chloro-benzyl)-3,4-dimethyl-piperidin-4-yl]-benzamide
CID 44358904
2-(3-chlorophenyl)-N-[(3-methylpiperidin-4-yl)methyl]benzamide
CID 46871666
N-[[2-(3-chlorophenyl)phenyl]methyl]-N-(piperidin-4-ylmethyl)acetamide
CID 46890911
2-[2-(3-chlorophenyl)phenyl]-N-piperidin-4-ylacetamide
CID 46890962

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-1-(1'-methylspiro[3,5-dihydro-1H-2-benzazepine-4,3'-piperidine]-2-yl)ethanone?
The IUPAC name of 2-(3-chlorophenyl)-1-(1'-methylspiro[3,5-dihydro-1H-2-benzazepine-4,3'-piperidine]-2-yl)ethanone (CID 134789561) is 2-(3-chlorophenyl)-1-(1'-methylspiro[3,5-dihydro-1H-2-benzazepine-4,3'-piperidine]-2-yl)ethanone.
What is the SMILES notation for 2-(3-chlorophenyl)-1-(1'-methylspiro[3,5-dihydro-1H-2-benzazepine-4,3'-piperidine]-2-yl)ethanone?
The canonical SMILES for 2-(3-chlorophenyl)-1-(1'-methylspiro[3,5-dihydro-1H-2-benzazepine-4,3'-piperidine]-2-yl)ethanone is CN1CCCC2(Cc3ccccc3CN(C(=O)Cc3cccc(Cl)c3)C2)C1.
What is the InChIKey of 2-(3-chlorophenyl)-1-(1'-methylspiro[3,5-dihydro-1H-2-benzazepine-4,3'-piperidine]-2-yl)ethanone?
The InChIKey is KUVJRKUGMVZPRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN2O/c1-25-11-5-10-23(16-25)14-19-7-2-3-8-20(19)15-26(17-23)22(27)13-18-6-4-9-21(24)12-18/h2-4,6-9,12H,5,10-11,13-17H2,1H3.
What are the key properties of 2-(3-chlorophenyl)-1-(1'-methylspiro[3,5-dihydro-1H-2-benzazepine-4,3'-piperidine]-2-yl)ethanone?
2-(3-chlorophenyl)-1-(1'-methylspiro[3,5-dihydro-1H-2-benzazepine-4,3'-piperidine]-2-yl)ethanone has a molecular weight of 382.94 g/mol, XLogP of 4.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-1-(1'-methylspiro[3,5-dihydro-1H-2-benzazepine-4,3'-piperidine]-2-yl)ethanone is sourced from PubChem (CID 134789561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).