1-(2-ethoxyacetyl)-4-(3-fluoroanilino)-N-propan-2-ylpiperidine-4-carboxamide

C19H28FN3O3 — CID 155879755

IUPAC1-(2-ethoxyacetyl)-4-(3-fluoroanilino)-N-propan-2-ylpiperidine-4-carboxamide
SMILESCCOCC(=O)N1CCC(Nc2cccc(F)c2)(C(=O)NC(C)C)CC1
InChIInChI=1S/C19H28FN3O3/c1-4-26-13-17(24)23-10-8-19(9-11-23,18(25)21-14(2)3)22-16-7-5-6-15(20)12-16/h5-7,12,14,22H,4,8-11,13H2,1-3H3,(H,21,25)
InChIKeyBYQRHINZGGJTEK-UHFFFAOYSA-N
MW365.45 g/mol
LogP2.16
Rot. Bonds7

About 1-(2-ethoxyacetyl)-4-(3-fluoroanilino)-N-propan-2-ylpiperidine-4-carboxamide

1-(2-ethoxyacetyl)-4-(3-fluoroanilino)-N-propan-2-ylpiperidine-4-carboxamide (PubChem CID 155879755) has the molecular formula C19H28FN3O3 and a molecular weight of 365.45 g/mol. Its IUPAC name is 1-(2-ethoxyacetyl)-4-(3-fluoroanilino)-N-propan-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-ethoxyacetyl)-4-(3-fluoroanilino)-N-propan-2-ylpiperidine-4-carboxamide
PubChem CID155879755
Molecular FormulaC19H28FN3O3
Molecular Weight365.45 g/mol
Exact Mass365.21
IUPAC Name1-(2-ethoxyacetyl)-4-(3-fluoroanilino)-N-propan-2-ylpiperidine-4-carboxamide
SMILESCCOCC(=O)N1CCC(Nc2cccc(F)c2)(C(=O)NC(C)C)CC1
InChIInChI=1S/C19H28FN3O3/c1-4-26-13-17(24)23-10-8-19(9-11-23,18(25)21-14(2)3)22-16-7-5-6-15(20)12-16/h5-7,12,14,22H,4,8-11,13H2,1-3H3,(H,21,25)
InChIKeyBYQRHINZGGJTEK-UHFFFAOYSA-N
XLogP2.16
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.45
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-fluoroanilino)-1-methyl-N-propan-2-ylpiperidine-4-carboxamide
CID 155878797
4-(3-fluoroanilino)-N-propan-2-yl-1-(1,3-thiazole-4-carbonyl)piperidine-4-carboxamide
CID 155879747
4-(3-fluoroanilino)-N-propan-2-yl-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 155878721
4-(3-fluoroanilino)-N-propan-2-yl-1-pyrimidin-2-ylpiperidine-4-carboxamide;formic acid
CID 155878709
1-(2-ethoxyacetyl)-4-(3-methoxyanilino)-N,N-dimethylpiperidine-4-carboxamide
CID 155879122
4-(3-fluoroanilino)-N-methyl-1-(3-methylsulfonylpropanoyl)piperidine-4-carboxamide
CID 155871376
4-anilino-1-[(4-fluorophenyl)methyl]-N-propan-2-ylpiperidine-4-carboxamide
CID 155874133
N-cyclopropyl-4-(3-fluoroanilino)-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 155871908
N-cyclopropyl-1-(2-cyclopropylacetyl)-4-(3-fluoroanilino)piperidine-4-carboxamide
CID 155873184
1-(cyclopentylmethyl)-4-(3-fluoroanilino)-N-methylpiperidine-4-carboxamide
CID 155879288
1-(cyclopropanecarbonyl)-4-(3-fluoroanilino)-N-methylpiperidine-4-carboxamide
CID 155872854
methyl 1-(3-fluoroanilino)cyclobutane-1-carboxylate
CID 62389643

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyacetyl)-4-(3-fluoroanilino)-N-propan-2-ylpiperidine-4-carboxamide?
The IUPAC name of 1-(2-ethoxyacetyl)-4-(3-fluoroanilino)-N-propan-2-ylpiperidine-4-carboxamide (CID 155879755) is 1-(2-ethoxyacetyl)-4-(3-fluoroanilino)-N-propan-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(2-ethoxyacetyl)-4-(3-fluoroanilino)-N-propan-2-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-(2-ethoxyacetyl)-4-(3-fluoroanilino)-N-propan-2-ylpiperidine-4-carboxamide is CCOCC(=O)N1CCC(Nc2cccc(F)c2)(C(=O)NC(C)C)CC1.
What is the InChIKey of 1-(2-ethoxyacetyl)-4-(3-fluoroanilino)-N-propan-2-ylpiperidine-4-carboxamide?
The InChIKey is BYQRHINZGGJTEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28FN3O3/c1-4-26-13-17(24)23-10-8-19(9-11-23,18(25)21-14(2)3)22-16-7-5-6-15(20)12-16/h5-7,12,14,22H,4,8-11,13H2,1-3H3,(H,21,25).
What are the key properties of 1-(2-ethoxyacetyl)-4-(3-fluoroanilino)-N-propan-2-ylpiperidine-4-carboxamide?
1-(2-ethoxyacetyl)-4-(3-fluoroanilino)-N-propan-2-ylpiperidine-4-carboxamide has a molecular weight of 365.45 g/mol, XLogP of 2.16, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyacetyl)-4-(3-fluoroanilino)-N-propan-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 155879755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).