N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-3-piperidin-4-ylbutanamide;dihydrochloride

C21H34Cl2FN3O2 — CID 119865999

IUPACN-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-3-piperidin-4-ylbutanamide;dihydrochloride
SMILESCC(CC(=O)NCC(c1cccc(F)c1)N1CCOCC1)C1CCNCC1.Cl.Cl
InChIInChI=1S/C21H32FN3O2.2ClH/c1-16(17-5-7-23-8-6-17)13-21(26)24-15-20(25-9-11-27-12-10-25)18-3-2-4-19(22)14-18;;/h2-4,14,16-17,20,23H,5-13,15H2,1H3,(H,24,26);2*1H
InChIKeyGYXWFRSTVKWHTB-UHFFFAOYSA-N
MW450.43 g/mol
LogP3.18
Rot. Bonds7

About N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-3-piperidin-4-ylbutanamide;dihydrochloride

N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-3-piperidin-4-ylbutanamide;dihydrochloride (PubChem CID 119865999) has the molecular formula C21H34Cl2FN3O2 and a molecular weight of 450.43 g/mol. Its IUPAC name is N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-3-piperidin-4-ylbutanamide;dihydrochloride.

Molecular Properties

Compound NameN-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-3-piperidin-4-ylbutanamide;dihydrochloride
PubChem CID119865999
Molecular FormulaC21H34Cl2FN3O2
Molecular Weight450.43 g/mol
Exact Mass449.20
IUPAC NameN-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-3-piperidin-4-ylbutanamide;dihydrochloride
SMILESCC(CC(=O)NCC(c1cccc(F)c1)N1CCOCC1)C1CCNCC1.Cl.Cl
InChIInChI=1S/C21H32FN3O2.2ClH/c1-16(17-5-7-23-8-6-17)13-21(26)24-15-20(25-9-11-27-12-10-25)18-3-2-4-19(22)14-18;;/h2-4,14,16-17,20,23H,5-13,15H2,1H3,(H,24,26);2*1H
InChIKeyGYXWFRSTVKWHTB-UHFFFAOYSA-N
XLogP3.18
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.43
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-3-piperidin-4-ylbutanamide;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-piperidin-4-ylbutanamide
CID 119829974
N-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119875170
3-ethylsulfanyl-N-[(2R)-2-(3-fluorophenyl)-2-morpholin-4-ylethyl]propanamide
CID 94815665
4-amino-N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-3-methoxybutanamide
CID 120596042
N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]morpholine-2-carboxamide;dihydrochloride
CID 119866007
(2S,4S)-N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-2-methylpiperidine-4-carboxamide
CID 120634306
N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-3-piperidin-4-ylbutanamide
CID 119866502
N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-4-(methylamino)butanamide
CID 119865964
N-[(3-fluorophenyl)-phenylmethyl]-3-piperidin-4-ylbutanamide
CID 119815273
7-amino-N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]heptanamide;dihydrochloride
CID 119865953
N-[2-(3-fluorophenyl)-2-methylpropyl]-3-piperidin-4-ylbutanamide
CID 119796132
1-amino-N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119865951

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-3-piperidin-4-ylbutanamide;dihydrochloride?
The IUPAC name of N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-3-piperidin-4-ylbutanamide;dihydrochloride (CID 119865999) is N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-3-piperidin-4-ylbutanamide;dihydrochloride.
What is the SMILES notation for N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-3-piperidin-4-ylbutanamide;dihydrochloride?
The canonical SMILES for N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-3-piperidin-4-ylbutanamide;dihydrochloride is CC(CC(=O)NCC(c1cccc(F)c1)N1CCOCC1)C1CCNCC1.Cl.Cl.
What is the InChIKey of N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-3-piperidin-4-ylbutanamide;dihydrochloride?
The InChIKey is GYXWFRSTVKWHTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32FN3O2.2ClH/c1-16(17-5-7-23-8-6-17)13-21(26)24-15-20(25-9-11-27-12-10-25)18-3-2-4-19(22)14-18;;/h2-4,14,16-17,20,23H,5-13,15H2,1H3,(H,24,26);2*1H.
What are the key properties of N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-3-piperidin-4-ylbutanamide;dihydrochloride?
N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-3-piperidin-4-ylbutanamide;dihydrochloride has a molecular weight of 450.43 g/mol, XLogP of 3.18, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-3-piperidin-4-ylbutanamide;dihydrochloride is sourced from PubChem (CID 119865999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).