1-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-methylindol-3-yl]-2-imidazolidin-1-ylethane-1,2-dione

C27H28ClFN4O3 — CID 58592900

IUPAC1-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-methylindol-3-yl]-2-imidazolidin-1-ylethane-1,2-dione
SMILESCn1cc(C(=O)C(=O)N2CCNC2)c2cc(C(=O)N3CCC(Cc4ccc(F)cc4)CC3)c(Cl)cc21
InChIInChI=1S/C27H28ClFN4O3/c1-31-15-22(25(34)27(36)33-11-8-30-16-33)20-13-21(23(28)14-24(20)31)26(35)32-9-6-18(7-10-32)12-17-2-4-19(29)5-3-17/h2-5,13-15,18,30H,6-12,16H2,1H3
InChIKeyAWNZUQBQSCGTBU-UHFFFAOYSA-N
MW511.00 g/mol
LogP3.64
Rot. Bonds5

About 1-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-methylindol-3-yl]-2-imidazolidin-1-ylethane-1,2-dione

1-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-methylindol-3-yl]-2-imidazolidin-1-ylethane-1,2-dione (PubChem CID 58592900) has the molecular formula C27H28ClFN4O3 and a molecular weight of 511.00 g/mol. Its IUPAC name is 1-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-methylindol-3-yl]-2-imidazolidin-1-ylethane-1,2-dione.

Molecular Properties

Compound Name1-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-methylindol-3-yl]-2-imidazolidin-1-ylethane-1,2-dione
PubChem CID58592900
Molecular FormulaC27H28ClFN4O3
Molecular Weight511.00 g/mol
Exact Mass510.18
IUPAC Name1-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-methylindol-3-yl]-2-imidazolidin-1-ylethane-1,2-dione
SMILESCn1cc(C(=O)C(=O)N2CCNC2)c2cc(C(=O)N3CCC(Cc4ccc(F)cc4)CC3)c(Cl)cc21
InChIInChI=1S/C27H28ClFN4O3/c1-31-15-22(25(34)27(36)33-11-8-30-16-33)20-13-21(23(28)14-24(20)31)26(35)32-9-6-18(7-10-32)12-17-2-4-19(29)5-3-17/h2-5,13-15,18,30H,6-12,16H2,1H3
InChIKeyAWNZUQBQSCGTBU-UHFFFAOYSA-N
XLogP3.64
TPSA74.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.00
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-methylindol-3-yl]-2-imidazolidin-1-ylethane-1,2-dione?
The IUPAC name of 1-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-methylindol-3-yl]-2-imidazolidin-1-ylethane-1,2-dione (CID 58592900) is 1-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-methylindol-3-yl]-2-imidazolidin-1-ylethane-1,2-dione.
What is the SMILES notation for 1-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-methylindol-3-yl]-2-imidazolidin-1-ylethane-1,2-dione?
The canonical SMILES for 1-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-methylindol-3-yl]-2-imidazolidin-1-ylethane-1,2-dione is Cn1cc(C(=O)C(=O)N2CCNC2)c2cc(C(=O)N3CCC(Cc4ccc(F)cc4)CC3)c(Cl)cc21.
What is the InChIKey of 1-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-methylindol-3-yl]-2-imidazolidin-1-ylethane-1,2-dione?
The InChIKey is AWNZUQBQSCGTBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28ClFN4O3/c1-31-15-22(25(34)27(36)33-11-8-30-16-33)20-13-21(23(28)14-24(20)31)26(35)32-9-6-18(7-10-32)12-17-2-4-19(29)5-3-17/h2-5,13-15,18,30H,6-12,16H2,1H3.
What are the key properties of 1-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-methylindol-3-yl]-2-imidazolidin-1-ylethane-1,2-dione?
1-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-methylindol-3-yl]-2-imidazolidin-1-ylethane-1,2-dione has a molecular weight of 511.00 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-methylindol-3-yl]-2-imidazolidin-1-ylethane-1,2-dione is sourced from PubChem (CID 58592900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).