1-[(4Z)-4-[(2-chlorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carbonyl]-N,N-dimethylpiperidine-4-carboxamide

C29H30ClN3O2 — CID 99174308

IUPAC1-[(4Z)-4-[(2-chlorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carbonyl]-N,N-dimethylpiperidine-4-carboxamide
SMILESCN(C)C(=O)C1CCN(C(=O)c2c3c(nc4ccccc24)/C(=C\c2ccccc2Cl)CCC3)CC1
InChIInChI=1S/C29H30ClN3O2/c1-32(2)28(34)19-14-16-33(17-15-19)29(35)26-22-10-4-6-13-25(22)31-27-21(9-7-11-23(26)27)18-20-8-3-5-12-24(20)30/h3-6,8,10,12-13,18-19H,7,9,11,14-17H2,1-2H3/b21-18-
InChIKeyDMPLREXLIUGANV-UZYVYHOESA-N
MW488.03 g/mol
LogP5.71
Rot. Bonds3

About 1-[(4Z)-4-[(2-chlorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carbonyl]-N,N-dimethylpiperidine-4-carboxamide

1-[(4Z)-4-[(2-chlorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carbonyl]-N,N-dimethylpiperidine-4-carboxamide (PubChem CID 99174308) has the molecular formula C29H30ClN3O2 and a molecular weight of 488.03 g/mol. Its IUPAC name is 1-[(4Z)-4-[(2-chlorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carbonyl]-N,N-dimethylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(4Z)-4-[(2-chlorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carbonyl]-N,N-dimethylpiperidine-4-carboxamide
PubChem CID99174308
Molecular FormulaC29H30ClN3O2
Molecular Weight488.03 g/mol
Exact Mass487.20
IUPAC Name1-[(4Z)-4-[(2-chlorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carbonyl]-N,N-dimethylpiperidine-4-carboxamide
SMILESCN(C)C(=O)C1CCN(C(=O)c2c3c(nc4ccccc24)/C(=C\c2ccccc2Cl)CCC3)CC1
InChIInChI=1S/C29H30ClN3O2/c1-32(2)28(34)19-14-16-33(17-15-19)29(35)26-22-10-4-6-13-25(22)31-27-21(9-7-11-23(26)27)18-20-8-3-5-12-24(20)30/h3-6,8,10,12-13,18-19H,7,9,11,14-17H2,1-2H3/b21-18-
InChIKeyDMPLREXLIUGANV-UZYVYHOESA-N
XLogP5.71
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.03
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4Z)-4-[(2-chlorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carbonyl]-N,N-dimethylpiperidine-4-carboxamide?
The IUPAC name of 1-[(4Z)-4-[(2-chlorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carbonyl]-N,N-dimethylpiperidine-4-carboxamide (CID 99174308) is 1-[(4Z)-4-[(2-chlorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carbonyl]-N,N-dimethylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[(4Z)-4-[(2-chlorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carbonyl]-N,N-dimethylpiperidine-4-carboxamide?
The canonical SMILES for 1-[(4Z)-4-[(2-chlorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carbonyl]-N,N-dimethylpiperidine-4-carboxamide is CN(C)C(=O)C1CCN(C(=O)c2c3c(nc4ccccc24)/C(=C\c2ccccc2Cl)CCC3)CC1.
What is the InChIKey of 1-[(4Z)-4-[(2-chlorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carbonyl]-N,N-dimethylpiperidine-4-carboxamide?
The InChIKey is DMPLREXLIUGANV-UZYVYHOESA-N. The full InChI is InChI=1S/C29H30ClN3O2/c1-32(2)28(34)19-14-16-33(17-15-19)29(35)26-22-10-4-6-13-25(22)31-27-21(9-7-11-23(26)27)18-20-8-3-5-12-24(20)30/h3-6,8,10,12-13,18-19H,7,9,11,14-17H2,1-2H3/b21-18-.
What are the key properties of 1-[(4Z)-4-[(2-chlorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carbonyl]-N,N-dimethylpiperidine-4-carboxamide?
1-[(4Z)-4-[(2-chlorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carbonyl]-N,N-dimethylpiperidine-4-carboxamide has a molecular weight of 488.03 g/mol, XLogP of 5.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4Z)-4-[(2-chlorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carbonyl]-N,N-dimethylpiperidine-4-carboxamide is sourced from PubChem (CID 99174308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).