2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2,3-dihydro-1H-indol-3-yl]-N-methyl-2-oxo-N-propan-2-ylacetamide

About 2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2,3-dihydro-1H-indol-3-yl]-N-methyl-2-oxo-N-propan-2-ylacetamide

2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2,3-dihydro-1H-indol-3-yl]-N-methyl-2-oxo-N-propan-2-ylacetamide (PubChem CID 71167023) has the molecular formula C27H31ClFN3O3 and a molecular weight of 500.01 g/mol. Its IUPAC name is 2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2,3-dihydro-1H-indol-3-yl]-N-methyl-2-oxo-N-propan-2-ylacetamide.

Molecular Properties

Compound Name	2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2,3-dihydro-1H-indol-3-yl]-N-methyl-2-oxo-N-propan-2-ylacetamide
PubChem CID	71167023
Molecular Formula	C27H31ClFN3O3
Molecular Weight	500.01 g/mol
Exact Mass	499.20
IUPAC Name	2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2,3-dihydro-1H-indol-3-yl]-N-methyl-2-oxo-N-propan-2-ylacetamide
SMILES	CC(C)N(C)C(=O)C(=O)C1CNc2cc(Cl)c(C(=O)N3CCC(Cc4ccc(F)cc4)CC3)cc21
InChI	InChI=1S/C27H31ClFN3O3/c1-16(2)31(3)27(35)25(33)22-15-30-24-14-23(28)21(13-20(22)24)26(34)32-10-8-18(9-11-32)12-17-4-6-19(29)7-5-17/h4-7,13-14,16,18,22,30H,8-12,15H2,1-3H3
InChIKey	JZVXQAZICSRKEC-UHFFFAOYSA-N
XLogP	4.52
TPSA	69.72 Å²
H-Bond Donors	1
H-Bond Acceptors	4
Rotatable Bonds	6
Heavy Atoms	35
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	500.01
LogP ≤ 5	4.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2,3-dihydro-1H-indol-3-yl]-N-methyl-2-oxo-N-propan-2-ylacetamide?

The IUPAC name of 2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2,3-dihydro-1H-indol-3-yl]-N-methyl-2-oxo-N-propan-2-ylacetamide (CID 71167023) is 2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2,3-dihydro-1H-indol-3-yl]-N-methyl-2-oxo-N-propan-2-ylacetamide.

What is the SMILES notation for 2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2,3-dihydro-1H-indol-3-yl]-N-methyl-2-oxo-N-propan-2-ylacetamide?

The canonical SMILES for 2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2,3-dihydro-1H-indol-3-yl]-N-methyl-2-oxo-N-propan-2-ylacetamide is CC(C)N(C)C(=O)C(=O)C1CNc2cc(Cl)c(C(=O)N3CCC(Cc4ccc(F)cc4)CC3)cc21.

What is the InChIKey of 2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2,3-dihydro-1H-indol-3-yl]-N-methyl-2-oxo-N-propan-2-ylacetamide?

The InChIKey is JZVXQAZICSRKEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31ClFN3O3/c1-16(2)31(3)27(35)25(33)22-15-30-24-14-23(28)21(13-20(22)24)26(34)32-10-8-18(9-11-32)12-17-4-6-19(29)7-5-17/h4-7,13-14,16,18,22,30H,8-12,15H2,1-3H3.

What are the key properties of 2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2,3-dihydro-1H-indol-3-yl]-N-methyl-2-oxo-N-propan-2-ylacetamide?

2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2,3-dihydro-1H-indol-3-yl]-N-methyl-2-oxo-N-propan-2-ylacetamide has a molecular weight of 500.01 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2,3-dihydro-1H-indol-3-yl]-N-methyl-2-oxo-N-propan-2-ylacetamide is sourced from PubChem (CID 71167023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).