N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-3-piperidin-4-ylbutanamide;dihydrochloride

C19H32Cl2FN3O — CID 119850674

IUPACN-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-3-piperidin-4-ylbutanamide;dihydrochloride
SMILESCC(CC(=O)NCC(c1ccc(F)cc1)N(C)C)C1CCNCC1.Cl.Cl
InChIInChI=1S/C19H30FN3O.2ClH/c1-14(15-8-10-21-11-9-15)12-19(24)22-13-18(23(2)3)16-4-6-17(20)7-5-16;;/h4-7,14-15,18,21H,8-13H2,1-3H3,(H,22,24);2*1H
InChIKeyUAPDSUGZRKDSFR-UHFFFAOYSA-N
MW408.39 g/mol
LogP3.41
Rot. Bonds7

About N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-3-piperidin-4-ylbutanamide;dihydrochloride

N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-3-piperidin-4-ylbutanamide;dihydrochloride (PubChem CID 119850674) has the molecular formula C19H32Cl2FN3O and a molecular weight of 408.39 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-3-piperidin-4-ylbutanamide;dihydrochloride.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-3-piperidin-4-ylbutanamide;dihydrochloride
PubChem CID119850674
Molecular FormulaC19H32Cl2FN3O
Molecular Weight408.39 g/mol
Exact Mass407.19
IUPAC NameN-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-3-piperidin-4-ylbutanamide;dihydrochloride
SMILESCC(CC(=O)NCC(c1ccc(F)cc1)N(C)C)C1CCNCC1.Cl.Cl
InChIInChI=1S/C19H30FN3O.2ClH/c1-14(15-8-10-21-11-9-15)12-19(24)22-13-18(23(2)3)16-4-6-17(20)7-5-16;;/h4-7,14-15,18,21H,8-13H2,1-3H3,(H,22,24);2*1H
InChIKeyUAPDSUGZRKDSFR-UHFFFAOYSA-N
XLogP3.41
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.39
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-piperidin-4-ylbutanamide
CID 119830049
N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-3-piperidin-4-ylbutanamide
CID 119832286
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-piperidin-4-ylbutanamide
CID 119829974
N-(2-hydroxy-2-phenylethyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119676987
N-[2-(4-fluoroanilino)-2-oxoethyl]-3-piperidin-4-ylbutanamide
CID 119758040
N-[2-(N-methylanilino)propyl]-3-piperidin-4-ylbutanamide
CID 119850601
N-[[4-(1-hydroxyethyl)phenyl]methyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119737467
ethyl 3-(4-fluorophenyl)-3-(3-piperidin-4-ylbutanoylamino)propanoate;hydrochloride
CID 119755361
N-(2,3-dimethylbutyl)-3-piperidin-4-ylbutanamide
CID 119796514
3-piperidin-4-yl-N-[1-(4-propan-2-ylphenyl)ethyl]butanamide
CID 119686110
N-[2-(2,6-difluorophenyl)ethyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119722580
ethyl 3-(4-fluorophenyl)-3-(3-piperidin-4-ylbutanoylamino)propanoate
CID 119755362

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-3-piperidin-4-ylbutanamide;dihydrochloride?
The IUPAC name of N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-3-piperidin-4-ylbutanamide;dihydrochloride (CID 119850674) is N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-3-piperidin-4-ylbutanamide;dihydrochloride.
What is the SMILES notation for N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-3-piperidin-4-ylbutanamide;dihydrochloride?
The canonical SMILES for N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-3-piperidin-4-ylbutanamide;dihydrochloride is CC(CC(=O)NCC(c1ccc(F)cc1)N(C)C)C1CCNCC1.Cl.Cl.
What is the InChIKey of N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-3-piperidin-4-ylbutanamide;dihydrochloride?
The InChIKey is UAPDSUGZRKDSFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30FN3O.2ClH/c1-14(15-8-10-21-11-9-15)12-19(24)22-13-18(23(2)3)16-4-6-17(20)7-5-16;;/h4-7,14-15,18,21H,8-13H2,1-3H3,(H,22,24);2*1H.
What are the key properties of N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-3-piperidin-4-ylbutanamide;dihydrochloride?
N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-3-piperidin-4-ylbutanamide;dihydrochloride has a molecular weight of 408.39 g/mol, XLogP of 3.41, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-3-piperidin-4-ylbutanamide;dihydrochloride is sourced from PubChem (CID 119850674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).