1-[(2-chlorophenyl)methyl]-4-imidazol-1-yl-N,N-dimethylpiperidine-4-carboxamide;formic acid

C19H25ClN4O3 — CID 171695756

IUPAC1-[(2-chlorophenyl)methyl]-4-imidazol-1-yl-N,N-dimethylpiperidine-4-carboxamide;formic acid
SMILESCN(C)C(=O)C1(n2ccnc2)CCN(Cc2ccccc2Cl)CC1.O=CO
InChIInChI=1S/C18H23ClN4O.CH2O2/c1-21(2)17(24)18(23-12-9-20-14-23)7-10-22(11-8-18)13-15-5-3-4-6-16(15)19;2-1-3/h3-6,9,12,14H,7-8,10-11,13H2,1-2H3;1H,(H,2,3)
InChIKeyCQCQSTOYCMOYPG-UHFFFAOYSA-N
MW392.89 g/mol
LogP2.32
Rot. Bonds4

About 1-[(2-chlorophenyl)methyl]-4-imidazol-1-yl-N,N-dimethylpiperidine-4-carboxamide;formic acid

1-[(2-chlorophenyl)methyl]-4-imidazol-1-yl-N,N-dimethylpiperidine-4-carboxamide;formic acid (PubChem CID 171695756) has the molecular formula C19H25ClN4O3 and a molecular weight of 392.89 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-4-imidazol-1-yl-N,N-dimethylpiperidine-4-carboxamide;formic acid.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-4-imidazol-1-yl-N,N-dimethylpiperidine-4-carboxamide;formic acid
PubChem CID171695756
Molecular FormulaC19H25ClN4O3
Molecular Weight392.89 g/mol
Exact Mass392.16
IUPAC Name1-[(2-chlorophenyl)methyl]-4-imidazol-1-yl-N,N-dimethylpiperidine-4-carboxamide;formic acid
SMILESCN(C)C(=O)C1(n2ccnc2)CCN(Cc2ccccc2Cl)CC1.O=CO
InChIInChI=1S/C18H23ClN4O.CH2O2/c1-21(2)17(24)18(23-12-9-20-14-23)7-10-22(11-8-18)13-15-5-3-4-6-16(15)19;2-1-3/h3-6,9,12,14H,7-8,10-11,13H2,1-2H3;1H,(H,2,3)
InChIKeyCQCQSTOYCMOYPG-UHFFFAOYSA-N
XLogP2.32
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.89
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-4-imidazol-1-yl-N,N-dimethylpiperidine-4-carboxamide;formic acid?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-4-imidazol-1-yl-N,N-dimethylpiperidine-4-carboxamide;formic acid (CID 171695756) is 1-[(2-chlorophenyl)methyl]-4-imidazol-1-yl-N,N-dimethylpiperidine-4-carboxamide;formic acid.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-4-imidazol-1-yl-N,N-dimethylpiperidine-4-carboxamide;formic acid?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-4-imidazol-1-yl-N,N-dimethylpiperidine-4-carboxamide;formic acid is CN(C)C(=O)C1(n2ccnc2)CCN(Cc2ccccc2Cl)CC1.O=CO.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-4-imidazol-1-yl-N,N-dimethylpiperidine-4-carboxamide;formic acid?
The InChIKey is CQCQSTOYCMOYPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4O.CH2O2/c1-21(2)17(24)18(23-12-9-20-14-23)7-10-22(11-8-18)13-15-5-3-4-6-16(15)19;2-1-3/h3-6,9,12,14H,7-8,10-11,13H2,1-2H3;1H,(H,2,3).
What are the key properties of 1-[(2-chlorophenyl)methyl]-4-imidazol-1-yl-N,N-dimethylpiperidine-4-carboxamide;formic acid?
1-[(2-chlorophenyl)methyl]-4-imidazol-1-yl-N,N-dimethylpiperidine-4-carboxamide;formic acid has a molecular weight of 392.89 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-4-imidazol-1-yl-N,N-dimethylpiperidine-4-carboxamide;formic acid is sourced from PubChem (CID 171695756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).