N-[1-[(3,3-dimethylpiperidin-1-yl)methyl]cyclopropyl]-4-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide;formic acid

C22H30N4O4 — CID 158794929

IUPACN-[1-[(3,3-dimethylpiperidin-1-yl)methyl]cyclopropyl]-4-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide;formic acid
SMILESCc1nc(-c2ccc(C(=O)NC3(CN4CCCC(C)(C)C4)CC3)cc2)no1.O=CO
InChIInChI=1S/C21H28N4O2.CH2O2/c1-15-22-18(24-27-15)16-5-7-17(8-6-16)19(26)23-21(10-11-21)14-25-12-4-9-20(2,3)13-25;2-1-3/h5-8H,4,9-14H2,1-3H3,(H,23,26);1H,(H,2,3)
InChIKeyISTAYLKYQFQEJQ-UHFFFAOYSA-N
MW414.51 g/mol
LogP3.13
Rot. Bonds5

About N-[1-[(3,3-dimethylpiperidin-1-yl)methyl]cyclopropyl]-4-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide;formic acid

N-[1-[(3,3-dimethylpiperidin-1-yl)methyl]cyclopropyl]-4-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide;formic acid (PubChem CID 158794929) has the molecular formula C22H30N4O4 and a molecular weight of 414.51 g/mol. Its IUPAC name is N-[1-[(3,3-dimethylpiperidin-1-yl)methyl]cyclopropyl]-4-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide;formic acid.

Molecular Properties

Compound NameN-[1-[(3,3-dimethylpiperidin-1-yl)methyl]cyclopropyl]-4-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide;formic acid
PubChem CID158794929
Molecular FormulaC22H30N4O4
Molecular Weight414.51 g/mol
Exact Mass414.23
IUPAC NameN-[1-[(3,3-dimethylpiperidin-1-yl)methyl]cyclopropyl]-4-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide;formic acid
SMILESCc1nc(-c2ccc(C(=O)NC3(CN4CCCC(C)(C)C4)CC3)cc2)no1.O=CO
InChIInChI=1S/C21H28N4O2.CH2O2/c1-15-22-18(24-27-15)16-5-7-17(8-6-16)19(26)23-21(10-11-21)14-25-12-4-9-20(2,3)13-25;2-1-3/h5-8H,4,9-14H2,1-3H3,(H,23,26);1H,(H,2,3)
InChIKeyISTAYLKYQFQEJQ-UHFFFAOYSA-N
XLogP3.13
TPSA108.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[1-[(3,3-dimethylpiperidin-1-yl)methyl]cyclopropyl]-4-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide;formic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3,3-dimethylpiperidin-1-yl)methyl]cyclopropyl]-4-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide;formic acid?
The IUPAC name of N-[1-[(3,3-dimethylpiperidin-1-yl)methyl]cyclopropyl]-4-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide;formic acid (CID 158794929) is N-[1-[(3,3-dimethylpiperidin-1-yl)methyl]cyclopropyl]-4-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide;formic acid.
What is the SMILES notation for N-[1-[(3,3-dimethylpiperidin-1-yl)methyl]cyclopropyl]-4-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide;formic acid?
The canonical SMILES for N-[1-[(3,3-dimethylpiperidin-1-yl)methyl]cyclopropyl]-4-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide;formic acid is Cc1nc(-c2ccc(C(=O)NC3(CN4CCCC(C)(C)C4)CC3)cc2)no1.O=CO.
What is the InChIKey of N-[1-[(3,3-dimethylpiperidin-1-yl)methyl]cyclopropyl]-4-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide;formic acid?
The InChIKey is ISTAYLKYQFQEJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2.CH2O2/c1-15-22-18(24-27-15)16-5-7-17(8-6-16)19(26)23-21(10-11-21)14-25-12-4-9-20(2,3)13-25;2-1-3/h5-8H,4,9-14H2,1-3H3,(H,23,26);1H,(H,2,3).
What are the key properties of N-[1-[(3,3-dimethylpiperidin-1-yl)methyl]cyclopropyl]-4-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide;formic acid?
N-[1-[(3,3-dimethylpiperidin-1-yl)methyl]cyclopropyl]-4-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide;formic acid has a molecular weight of 414.51 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3,3-dimethylpiperidin-1-yl)methyl]cyclopropyl]-4-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide;formic acid is sourced from PubChem (CID 158794929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).