N-[(3R)-1-(4-cyano-2-fluorophenyl)piperidin-3-yl]-4-ethoxybutanamide

C18H24FN3O2 — CID 95239331

IUPACN-[(3R)-1-(4-cyano-2-fluorophenyl)piperidin-3-yl]-4-ethoxybutanamide
SMILESCCOCCCC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1
InChIInChI=1S/C18H24FN3O2/c1-2-24-10-4-6-18(23)21-15-5-3-9-22(13-15)17-8-7-14(12-20)11-16(17)19/h7-8,11,15H,2-6,9-10,13H2,1H3,(H,21,23)/t15-/m1/s1
InChIKeyRWQRKURLRIFZQB-OAHLLOKOSA-N
MW333.41 g/mol
LogP2.60
Rot. Bonds7

About N-[(3R)-1-(4-cyano-2-fluorophenyl)piperidin-3-yl]-4-ethoxybutanamide

N-[(3R)-1-(4-cyano-2-fluorophenyl)piperidin-3-yl]-4-ethoxybutanamide (PubChem CID 95239331) has the molecular formula C18H24FN3O2 and a molecular weight of 333.41 g/mol. Its IUPAC name is N-[(3R)-1-(4-cyano-2-fluorophenyl)piperidin-3-yl]-4-ethoxybutanamide.

Molecular Properties

Compound NameN-[(3R)-1-(4-cyano-2-fluorophenyl)piperidin-3-yl]-4-ethoxybutanamide
PubChem CID95239331
Molecular FormulaC18H24FN3O2
Molecular Weight333.41 g/mol
Exact Mass333.19
IUPAC NameN-[(3R)-1-(4-cyano-2-fluorophenyl)piperidin-3-yl]-4-ethoxybutanamide
SMILESCCOCCCC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1
InChIInChI=1S/C18H24FN3O2/c1-2-24-10-4-6-18(23)21-15-5-3-9-22(13-15)17-8-7-14(12-20)11-16(17)19/h7-8,11,15H,2-6,9-10,13H2,1H3,(H,21,23)/t15-/m1/s1
InChIKeyRWQRKURLRIFZQB-OAHLLOKOSA-N
XLogP2.60
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl N-[(3R)-1-(4-cyano-2-fluorophenyl)piperidin-3-yl]carbamate
CID 95306784
N-[2-[[1-(4-cyano-2-fluorophenyl)piperidin-3-yl]amino]-2-oxoethyl]-N-ethylprop-2-enamide
CID 166407585
N-[(3R)-1-(4-cyano-2-fluorophenyl)piperidin-3-yl]-2-thiophen-3-ylacetamide
CID 124554345
1-[1-(4-cyano-2-fluorophenyl)piperidin-3-yl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 111618855
N-[1-(4-cyano-2-fluorophenyl)piperidin-3-yl]methanesulfonamide
CID 133296952
N-[(3S)-1-(4-cyano-2-fluorophenyl)piperidin-3-yl]-1H-pyrrole-2-carboxamide
CID 95239326
4-(3-ethoxypiperidin-1-yl)-3-fluorobenzonitrile
CID 54989810
4-[[[1-(4-cyano-2-fluorophenyl)piperidin-3-yl]amino]methyl]-N-methylbenzamide
CID 119127906
3-fluoro-4-(3-hydroxypiperidin-1-yl)benzonitrile
CID 56828410
3-fluoro-4-[3-(1-hydroxyethyl)piperidin-1-yl]benzonitrile
CID 133397554
4-[3-[(7-ethyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]piperidin-1-yl]-3-fluorobenzonitrile
CID 133296348
5-N-[1-(4-cyano-2-fluorophenyl)piperidin-3-yl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide
CID 86904355

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-(4-cyano-2-fluorophenyl)piperidin-3-yl]-4-ethoxybutanamide?
The IUPAC name of N-[(3R)-1-(4-cyano-2-fluorophenyl)piperidin-3-yl]-4-ethoxybutanamide (CID 95239331) is N-[(3R)-1-(4-cyano-2-fluorophenyl)piperidin-3-yl]-4-ethoxybutanamide.
What is the SMILES notation for N-[(3R)-1-(4-cyano-2-fluorophenyl)piperidin-3-yl]-4-ethoxybutanamide?
The canonical SMILES for N-[(3R)-1-(4-cyano-2-fluorophenyl)piperidin-3-yl]-4-ethoxybutanamide is CCOCCCC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1.
What is the InChIKey of N-[(3R)-1-(4-cyano-2-fluorophenyl)piperidin-3-yl]-4-ethoxybutanamide?
The InChIKey is RWQRKURLRIFZQB-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H24FN3O2/c1-2-24-10-4-6-18(23)21-15-5-3-9-22(13-15)17-8-7-14(12-20)11-16(17)19/h7-8,11,15H,2-6,9-10,13H2,1H3,(H,21,23)/t15-/m1/s1.
What are the key properties of N-[(3R)-1-(4-cyano-2-fluorophenyl)piperidin-3-yl]-4-ethoxybutanamide?
N-[(3R)-1-(4-cyano-2-fluorophenyl)piperidin-3-yl]-4-ethoxybutanamide has a molecular weight of 333.41 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-(4-cyano-2-fluorophenyl)piperidin-3-yl]-4-ethoxybutanamide is sourced from PubChem (CID 95239331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).