N-(3-ethoxypropyl)-1-[1-(2-fluorophenyl)-2,5-dimethylpyrrole-3-carbonyl]piperidine-4-carboxamide

C24H32FN3O3 — CID 78871300

IUPACN-(3-ethoxypropyl)-1-[1-(2-fluorophenyl)-2,5-dimethylpyrrole-3-carbonyl]piperidine-4-carboxamide
SMILESCCOCCCNC(=O)C1CCN(C(=O)c2cc(C)n(-c3ccccc3F)c2C)CC1
InChIInChI=1S/C24H32FN3O3/c1-4-31-15-7-12-26-23(29)19-10-13-27(14-11-19)24(30)20-16-17(2)28(18(20)3)22-9-6-5-8-21(22)25/h5-6,8-9,16,19H,4,7,10-15H2,1-3H3,(H,26,29)
InChIKeySWCRLJXETYZQSP-UHFFFAOYSA-N
MW429.54 g/mol
LogP3.63
Rot. Bonds8

About N-(3-ethoxypropyl)-1-[1-(2-fluorophenyl)-2,5-dimethylpyrrole-3-carbonyl]piperidine-4-carboxamide

N-(3-ethoxypropyl)-1-[1-(2-fluorophenyl)-2,5-dimethylpyrrole-3-carbonyl]piperidine-4-carboxamide (PubChem CID 78871300) has the molecular formula C24H32FN3O3 and a molecular weight of 429.54 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-1-[1-(2-fluorophenyl)-2,5-dimethylpyrrole-3-carbonyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-1-[1-(2-fluorophenyl)-2,5-dimethylpyrrole-3-carbonyl]piperidine-4-carboxamide
PubChem CID78871300
Molecular FormulaC24H32FN3O3
Molecular Weight429.54 g/mol
Exact Mass429.24
IUPAC NameN-(3-ethoxypropyl)-1-[1-(2-fluorophenyl)-2,5-dimethylpyrrole-3-carbonyl]piperidine-4-carboxamide
SMILESCCOCCCNC(=O)C1CCN(C(=O)c2cc(C)n(-c3ccccc3F)c2C)CC1
InChIInChI=1S/C24H32FN3O3/c1-4-31-15-7-12-26-23(29)19-10-13-27(14-11-19)24(30)20-16-17(2)28(18(20)3)22-9-6-5-8-21(22)25/h5-6,8-9,16,19H,4,7,10-15H2,1-3H3,(H,26,29)
InChIKeySWCRLJXETYZQSP-UHFFFAOYSA-N
XLogP3.63
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.54
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carbonyl]-N-(3-ethoxypropyl)piperidine-4-carboxamide
CID 78900547
1-(5-amino-2-methylbenzoyl)-N-(3-ethoxypropyl)piperidine-4-carboxamide
CID 120622057
N-(3-ethoxypropyl)-1-[4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carbonyl]piperidine-4-carboxamide
CID 78867841
1-(3,5-dimethyl-1-phenylpyrazole-4-carbonyl)-N-(3-ethoxypropyl)piperidine-4-carboxamide
CID 78871295
N-butyl-1-(2-fluorophenyl)piperidine-4-carboxamide
CID 17152559
1-[1-(4-chlorophenyl)-2,5-dimethylpyrrole-3-carbonyl]-N-(3-methylbutyl)piperidine-4-carboxamide
CID 47068222
1-N-(2,6-dimethylphenyl)-4-N-(3-ethoxypropyl)piperidine-1,4-dicarboxamide
CID 86987351
1-[1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
CID 112829603
1-(5-fluoro-2-methylbenzoyl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
CID 86994763
N-(3-ethoxypropyl)-1-(3-fluoro-4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 86988855
4-N-(3-ethoxypropyl)-1-N-(4-methylphenyl)piperidine-1,4-dicarboxamide
CID 651583
N-(3-methoxypropyl)-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 17465957

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-1-[1-(2-fluorophenyl)-2,5-dimethylpyrrole-3-carbonyl]piperidine-4-carboxamide?
The IUPAC name of N-(3-ethoxypropyl)-1-[1-(2-fluorophenyl)-2,5-dimethylpyrrole-3-carbonyl]piperidine-4-carboxamide (CID 78871300) is N-(3-ethoxypropyl)-1-[1-(2-fluorophenyl)-2,5-dimethylpyrrole-3-carbonyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(3-ethoxypropyl)-1-[1-(2-fluorophenyl)-2,5-dimethylpyrrole-3-carbonyl]piperidine-4-carboxamide?
The canonical SMILES for N-(3-ethoxypropyl)-1-[1-(2-fluorophenyl)-2,5-dimethylpyrrole-3-carbonyl]piperidine-4-carboxamide is CCOCCCNC(=O)C1CCN(C(=O)c2cc(C)n(-c3ccccc3F)c2C)CC1.
What is the InChIKey of N-(3-ethoxypropyl)-1-[1-(2-fluorophenyl)-2,5-dimethylpyrrole-3-carbonyl]piperidine-4-carboxamide?
The InChIKey is SWCRLJXETYZQSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32FN3O3/c1-4-31-15-7-12-26-23(29)19-10-13-27(14-11-19)24(30)20-16-17(2)28(18(20)3)22-9-6-5-8-21(22)25/h5-6,8-9,16,19H,4,7,10-15H2,1-3H3,(H,26,29).
What are the key properties of N-(3-ethoxypropyl)-1-[1-(2-fluorophenyl)-2,5-dimethylpyrrole-3-carbonyl]piperidine-4-carboxamide?
N-(3-ethoxypropyl)-1-[1-(2-fluorophenyl)-2,5-dimethylpyrrole-3-carbonyl]piperidine-4-carboxamide has a molecular weight of 429.54 g/mol, XLogP of 3.63, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-1-[1-(2-fluorophenyl)-2,5-dimethylpyrrole-3-carbonyl]piperidine-4-carboxamide is sourced from PubChem (CID 78871300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).