N-(2-ethoxy-4-fluorophenyl)-1-(1-methylpiperidine-4-carbonyl)azetidine-3-carboxamide

C19H26FN3O3 — CID 92633104

IUPACN-(2-ethoxy-4-fluorophenyl)-1-(1-methylpiperidine-4-carbonyl)azetidine-3-carboxamide
SMILESCCOc1cc(F)ccc1NC(=O)C1CN(C(=O)C2CCN(C)CC2)C1
InChIInChI=1S/C19H26FN3O3/c1-3-26-17-10-15(20)4-5-16(17)21-18(24)14-11-23(12-14)19(25)13-6-8-22(2)9-7-13/h4-5,10,13-14H,3,6-9,11-12H2,1-2H3,(H,21,24)
InChIKeyGUJZUORNOZLLPW-UHFFFAOYSA-N
MW363.43 g/mol
LogP1.96
Rot. Bonds5

About N-(2-ethoxy-4-fluorophenyl)-1-(1-methylpiperidine-4-carbonyl)azetidine-3-carboxamide

N-(2-ethoxy-4-fluorophenyl)-1-(1-methylpiperidine-4-carbonyl)azetidine-3-carboxamide (PubChem CID 92633104) has the molecular formula C19H26FN3O3 and a molecular weight of 363.43 g/mol. Its IUPAC name is N-(2-ethoxy-4-fluorophenyl)-1-(1-methylpiperidine-4-carbonyl)azetidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxy-4-fluorophenyl)-1-(1-methylpiperidine-4-carbonyl)azetidine-3-carboxamide
PubChem CID92633104
Molecular FormulaC19H26FN3O3
Molecular Weight363.43 g/mol
Exact Mass363.20
IUPAC NameN-(2-ethoxy-4-fluorophenyl)-1-(1-methylpiperidine-4-carbonyl)azetidine-3-carboxamide
SMILESCCOc1cc(F)ccc1NC(=O)C1CN(C(=O)C2CCN(C)CC2)C1
InChIInChI=1S/C19H26FN3O3/c1-3-26-17-10-15(20)4-5-16(17)21-18(24)14-11-23(12-14)19(25)13-6-8-22(2)9-7-13/h4-5,10,13-14H,3,6-9,11-12H2,1-2H3,(H,21,24)
InChIKeyGUJZUORNOZLLPW-UHFFFAOYSA-N
XLogP1.96
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.43
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-ethoxy-4-fluorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 122076630
(3S)-N-(2-ethoxy-4-fluorophenyl)-3-hydroxypyrrolidine-1-carboxamide
CID 111431407
(3R)-N-(2-ethoxy-4-fluorophenyl)piperidine-3-carboxamide
CID 81124349
2-(4-aminopiperidin-1-yl)-N-(2-ethoxy-4-fluorophenyl)acetamide
CID 79322871
(2S)-N-(2-ethoxy-4-fluorophenyl)-2-methylmorpholine-4-carboxamide
CID 94148395
N-(2-ethoxy-4-fluorophenyl)-2-methylpyrrolidine-3-carboxamide
CID 79388668
N-(2-ethoxyphenyl)-4-(3-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109150085
(1S,6S)-6-[(2-ethoxy-4-fluorophenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 94184974
N-(2-ethoxyphenyl)-4-(4-formylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
CID 109147660
N-(2-ethoxy-4-fluorophenyl)-4-ethylpiperidine-2-carboxamide
CID 114428305
1-(2-ethoxy-4-fluorophenyl)-3-[1-(2-ethylbutanoyl)piperidin-4-yl]urea
CID 55819670
(3S)-N-(2-ethoxyphenyl)-1-[5-(3-fluorophenyl)pyrimidin-2-yl]piperidine-3-carboxamide
CID 95085709

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxy-4-fluorophenyl)-1-(1-methylpiperidine-4-carbonyl)azetidine-3-carboxamide?
The IUPAC name of N-(2-ethoxy-4-fluorophenyl)-1-(1-methylpiperidine-4-carbonyl)azetidine-3-carboxamide (CID 92633104) is N-(2-ethoxy-4-fluorophenyl)-1-(1-methylpiperidine-4-carbonyl)azetidine-3-carboxamide.
What is the SMILES notation for N-(2-ethoxy-4-fluorophenyl)-1-(1-methylpiperidine-4-carbonyl)azetidine-3-carboxamide?
The canonical SMILES for N-(2-ethoxy-4-fluorophenyl)-1-(1-methylpiperidine-4-carbonyl)azetidine-3-carboxamide is CCOc1cc(F)ccc1NC(=O)C1CN(C(=O)C2CCN(C)CC2)C1.
What is the InChIKey of N-(2-ethoxy-4-fluorophenyl)-1-(1-methylpiperidine-4-carbonyl)azetidine-3-carboxamide?
The InChIKey is GUJZUORNOZLLPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN3O3/c1-3-26-17-10-15(20)4-5-16(17)21-18(24)14-11-23(12-14)19(25)13-6-8-22(2)9-7-13/h4-5,10,13-14H,3,6-9,11-12H2,1-2H3,(H,21,24).
What are the key properties of N-(2-ethoxy-4-fluorophenyl)-1-(1-methylpiperidine-4-carbonyl)azetidine-3-carboxamide?
N-(2-ethoxy-4-fluorophenyl)-1-(1-methylpiperidine-4-carbonyl)azetidine-3-carboxamide has a molecular weight of 363.43 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxy-4-fluorophenyl)-1-(1-methylpiperidine-4-carbonyl)azetidine-3-carboxamide is sourced from PubChem (CID 92633104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).