6-chloro-N-[1-[4-(chloromethyl)benzoyl]piperidin-4-yl]-2-oxo-1,3-dihydroindole-5-carboxamide

C22H21Cl2N3O3 — CID 154030176

IUPAC6-chloro-N-[1-[4-(chloromethyl)benzoyl]piperidin-4-yl]-2-oxo-1,3-dihydroindole-5-carboxamide
SMILESO=C1Cc2cc(C(=O)NC3CCN(C(=O)c4ccc(CCl)cc4)CC3)c(Cl)cc2N1
InChIInChI=1S/C22H21Cl2N3O3/c23-12-13-1-3-14(4-2-13)22(30)27-7-5-16(6-8-27)25-21(29)17-9-15-10-20(28)26-19(15)11-18(17)24/h1-4,9,11,16H,5-8,10,12H2,(H,25,29)(H,26,28)
InChIKeyQKVGYBIEYSGICJ-UHFFFAOYSA-N
MW446.33 g/mol
LogP3.61
Rot. Bonds4

About 6-chloro-N-[1-[4-(chloromethyl)benzoyl]piperidin-4-yl]-2-oxo-1,3-dihydroindole-5-carboxamide

6-chloro-N-[1-[4-(chloromethyl)benzoyl]piperidin-4-yl]-2-oxo-1,3-dihydroindole-5-carboxamide (PubChem CID 154030176) has the molecular formula C22H21Cl2N3O3 and a molecular weight of 446.33 g/mol. Its IUPAC name is 6-chloro-N-[1-[4-(chloromethyl)benzoyl]piperidin-4-yl]-2-oxo-1,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[1-[4-(chloromethyl)benzoyl]piperidin-4-yl]-2-oxo-1,3-dihydroindole-5-carboxamide
PubChem CID154030176
Molecular FormulaC22H21Cl2N3O3
Molecular Weight446.33 g/mol
Exact Mass445.10
IUPAC Name6-chloro-N-[1-[4-(chloromethyl)benzoyl]piperidin-4-yl]-2-oxo-1,3-dihydroindole-5-carboxamide
SMILESO=C1Cc2cc(C(=O)NC3CCN(C(=O)c4ccc(CCl)cc4)CC3)c(Cl)cc2N1
InChIInChI=1S/C22H21Cl2N3O3/c23-12-13-1-3-14(4-2-13)22(30)27-7-5-16(6-8-27)25-21(29)17-9-15-10-20(28)26-19(15)11-18(17)24/h1-4,9,11,16H,5-8,10,12H2,(H,25,29)(H,26,28)
InChIKeyQKVGYBIEYSGICJ-UHFFFAOYSA-N
XLogP3.61
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.33
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 6-chloro-N-[1-[4-(chloromethyl)benzoyl]piperidin-4-yl]-2-oxo-1,3-dihydroindole-5-carboxamide 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

2,5-dichloro-N-[1-(4-fluorobenzoyl)piperidin-4-yl]benzamide
CID 108554571
6-chloro-5-(2-chloroacetyl)-1,3-dihydroindol-2-one
CID 3730946
2-chloro-N-[1-(4-phenylbenzoyl)piperidin-4-yl]benzamide
CID 108550779
N-[1-(2-oxo-1,3-dihydroindole-6-carbonyl)pyrrolidin-3-yl]acetamide
CID 102712694
2,5-dichloro-N-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]benzamide
CID 108554641
N-[1-(4-bromobenzoyl)piperidin-4-yl]-2-chlorobenzamide
CID 108550788
2,5-dichloro-N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]benzamide
CID 108554637
N-[1-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]ethyl]-6-chloro-2-oxo-1,3-dihydroindole-5-carboxamide
CID 118946467
6-[4-(aminomethyl)piperidine-1-carbonyl]-1,3-dihydroindol-2-one
CID 102711454
5-[4-(aminomethyl)piperidine-1-carbonyl]-1,3-dihydroindol-2-one
CID 102711455
ethyl 4-[[2-(2-oxo-1,3-dihydroindol-5-yl)acetyl]amino]piperidine-1-carboxylate
CID 110768127
6-chloro-5-(oxolane-2-carbonyl)-1,3-dihydroindol-2-one
CID 43457466

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[1-[4-(chloromethyl)benzoyl]piperidin-4-yl]-2-oxo-1,3-dihydroindole-5-carboxamide?
The IUPAC name of 6-chloro-N-[1-[4-(chloromethyl)benzoyl]piperidin-4-yl]-2-oxo-1,3-dihydroindole-5-carboxamide (CID 154030176) is 6-chloro-N-[1-[4-(chloromethyl)benzoyl]piperidin-4-yl]-2-oxo-1,3-dihydroindole-5-carboxamide.
What is the SMILES notation for 6-chloro-N-[1-[4-(chloromethyl)benzoyl]piperidin-4-yl]-2-oxo-1,3-dihydroindole-5-carboxamide?
The canonical SMILES for 6-chloro-N-[1-[4-(chloromethyl)benzoyl]piperidin-4-yl]-2-oxo-1,3-dihydroindole-5-carboxamide is O=C1Cc2cc(C(=O)NC3CCN(C(=O)c4ccc(CCl)cc4)CC3)c(Cl)cc2N1.
What is the InChIKey of 6-chloro-N-[1-[4-(chloromethyl)benzoyl]piperidin-4-yl]-2-oxo-1,3-dihydroindole-5-carboxamide?
The InChIKey is QKVGYBIEYSGICJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21Cl2N3O3/c23-12-13-1-3-14(4-2-13)22(30)27-7-5-16(6-8-27)25-21(29)17-9-15-10-20(28)26-19(15)11-18(17)24/h1-4,9,11,16H,5-8,10,12H2,(H,25,29)(H,26,28).
What are the key properties of 6-chloro-N-[1-[4-(chloromethyl)benzoyl]piperidin-4-yl]-2-oxo-1,3-dihydroindole-5-carboxamide?
6-chloro-N-[1-[4-(chloromethyl)benzoyl]piperidin-4-yl]-2-oxo-1,3-dihydroindole-5-carboxamide has a molecular weight of 446.33 g/mol, XLogP of 3.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[1-[4-(chloromethyl)benzoyl]piperidin-4-yl]-2-oxo-1,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 154030176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).