2-formyl-N-methyl-N-[1-(1-methylpiperidin-4-yl)azetidin-3-yl]benzamide

C18H25N3O2 — CID 166085277

IUPAC2-formyl-N-methyl-N-[1-(1-methylpiperidin-4-yl)azetidin-3-yl]benzamide
SMILESCN1CCC(N2CC(N(C)C(=O)c3ccccc3C=O)C2)CC1
InChIInChI=1S/C18H25N3O2/c1-19-9-7-15(8-10-19)21-11-16(12-21)20(2)18(23)17-6-4-3-5-14(17)13-22/h3-6,13,15-16H,7-12H2,1-2H3
InChIKeyDTPRESZPWHMOIT-UHFFFAOYSA-N
MW315.42 g/mol
LogP1.35
Rot. Bonds4

About 2-formyl-N-methyl-N-[1-(1-methylpiperidin-4-yl)azetidin-3-yl]benzamide

2-formyl-N-methyl-N-[1-(1-methylpiperidin-4-yl)azetidin-3-yl]benzamide (PubChem CID 166085277) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 2-formyl-N-methyl-N-[1-(1-methylpiperidin-4-yl)azetidin-3-yl]benzamide.

Molecular Properties

Compound Name2-formyl-N-methyl-N-[1-(1-methylpiperidin-4-yl)azetidin-3-yl]benzamide
PubChem CID166085277
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name2-formyl-N-methyl-N-[1-(1-methylpiperidin-4-yl)azetidin-3-yl]benzamide
SMILESCN1CCC(N2CC(N(C)C(=O)c3ccccc3C=O)C2)CC1
InChIInChI=1S/C18H25N3O2/c1-19-9-7-15(8-10-19)21-11-16(12-21)20(2)18(23)17-6-4-3-5-14(17)13-22/h3-6,13,15-16H,7-12H2,1-2H3
InChIKeyDTPRESZPWHMOIT-UHFFFAOYSA-N
XLogP1.35
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-N-methyl-N-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]naphthalene-1-carboxamide
CID 167818237
tert-butyl (3S)-3-[(2-formylbenzoyl)-methylamino]pyrrolidine-1-carboxylate
CID 144738571
2-(dimethylamino)-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 110463573
3-bromo-N-methyl-N-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]naphthalene-1-carboxamide
CID 167912499
3-chloro-N,2-dimethyl-N-(1-methylpiperidin-4-yl)benzamide
CID 110463788
N-methyl-2-[2-(methylamino)ethyl]-N-(1-methylpiperidin-4-yl)benzamide
CID 104547292
2-(4-bromobenzoyl)-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 112811335
2-amino-3-bromo-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 110451168
2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 112810627
3-(2-methoxyphenyl)-1-methyl-1-[(3R)-1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]urea
CID 95980253
2-(azepan-1-yl)-N-methyl-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide
CID 84576935
N-(1-ethylpiperidin-4-yl)-2-hydroxy-N-methylbenzamide
CID 55002980

Frequently Asked Questions

What is the IUPAC name of 2-formyl-N-methyl-N-[1-(1-methylpiperidin-4-yl)azetidin-3-yl]benzamide?
The IUPAC name of 2-formyl-N-methyl-N-[1-(1-methylpiperidin-4-yl)azetidin-3-yl]benzamide (CID 166085277) is 2-formyl-N-methyl-N-[1-(1-methylpiperidin-4-yl)azetidin-3-yl]benzamide.
What is the SMILES notation for 2-formyl-N-methyl-N-[1-(1-methylpiperidin-4-yl)azetidin-3-yl]benzamide?
The canonical SMILES for 2-formyl-N-methyl-N-[1-(1-methylpiperidin-4-yl)azetidin-3-yl]benzamide is CN1CCC(N2CC(N(C)C(=O)c3ccccc3C=O)C2)CC1.
What is the InChIKey of 2-formyl-N-methyl-N-[1-(1-methylpiperidin-4-yl)azetidin-3-yl]benzamide?
The InChIKey is DTPRESZPWHMOIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-19-9-7-15(8-10-19)21-11-16(12-21)20(2)18(23)17-6-4-3-5-14(17)13-22/h3-6,13,15-16H,7-12H2,1-2H3.
What are the key properties of 2-formyl-N-methyl-N-[1-(1-methylpiperidin-4-yl)azetidin-3-yl]benzamide?
2-formyl-N-methyl-N-[1-(1-methylpiperidin-4-yl)azetidin-3-yl]benzamide has a molecular weight of 315.42 g/mol, XLogP of 1.35, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-formyl-N-methyl-N-[1-(1-methylpiperidin-4-yl)azetidin-3-yl]benzamide is sourced from PubChem (CID 166085277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).