N-(4-aminophenyl)-2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]acetamide;dihydrochloride

C20H26Cl2FN3O — CID 69100448

IUPACN-(4-aminophenyl)-2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]acetamide;dihydrochloride
SMILESCl.Cl.Nc1ccc(NC(=O)CN2CCC(Cc3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C20H24FN3O.2ClH/c21-17-3-1-15(2-4-17)13-16-9-11-24(12-10-16)14-20(25)23-19-7-5-18(22)6-8-19;;/h1-8,16H,9-14,22H2,(H,23,25);2*1H
InChIKeyHUBAEOBNMRZNGT-UHFFFAOYSA-N
MW414.35 g/mol
LogP4.14
Rot. Bonds5

About N-(4-aminophenyl)-2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]acetamide;dihydrochloride

N-(4-aminophenyl)-2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]acetamide;dihydrochloride (PubChem CID 69100448) has the molecular formula C20H26Cl2FN3O and a molecular weight of 414.35 g/mol. Its IUPAC name is N-(4-aminophenyl)-2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]acetamide;dihydrochloride.

Molecular Properties

Compound NameN-(4-aminophenyl)-2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]acetamide;dihydrochloride
PubChem CID69100448
Molecular FormulaC20H26Cl2FN3O
Molecular Weight414.35 g/mol
Exact Mass413.14
IUPAC NameN-(4-aminophenyl)-2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]acetamide;dihydrochloride
SMILESCl.Cl.Nc1ccc(NC(=O)CN2CCC(Cc3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C20H24FN3O.2ClH/c21-17-3-1-15(2-4-17)13-16-9-11-24(12-10-16)14-20(25)23-19-7-5-18(22)6-8-19;;/h1-8,16H,9-14,22H2,(H,23,25);2*1H
InChIKeyHUBAEOBNMRZNGT-UHFFFAOYSA-N
XLogP4.14
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.35
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(4-fluorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60967333
2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 10293256
2-(4-benzylpiperidin-1-yl)-N-(4-ethylphenyl)acetamide
CID 17380707
2-(4-benzylpiperidin-1-yl)-N-[4-(difluoromethoxy)phenyl]acetamide;hydrochloride
CID 18778024
2-(4-aminophenyl)-N-[4-[[2-(azocan-1-yl)acetyl]amino]phenyl]acetamide;dihydrochloride
CID 119871130
N-(4-fluorophenyl)-2-[4-(trifluoromethyl)piperidin-1-yl]acetamide
CID 155980853
N-[4-(aminomethyl)phenyl]-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
CID 43246107
2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-N-[3-(2H-tetrazol-5-yl)phenyl]acetamide
CID 69100605
N-(4-fluorophenyl)-2-(3-hydroxypyrrolidin-1-yl)acetamide
CID 55130773
2-[(3R)-3-aminopiperidin-1-yl]-N-(4-fluorophenyl)acetamide
CID 102977214
2-(3-aminopiperidin-1-yl)-N-(4-fluorophenyl)acetamide
CID 61297951
N-[1-[2-(4-fluoroanilino)-2-oxoethyl]piperidin-4-yl]cyclobutanecarboxamide
CID 165434114

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]acetamide;dihydrochloride?
The IUPAC name of N-(4-aminophenyl)-2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]acetamide;dihydrochloride (CID 69100448) is N-(4-aminophenyl)-2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]acetamide;dihydrochloride.
What is the SMILES notation for N-(4-aminophenyl)-2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]acetamide;dihydrochloride?
The canonical SMILES for N-(4-aminophenyl)-2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]acetamide;dihydrochloride is Cl.Cl.Nc1ccc(NC(=O)CN2CCC(Cc3ccc(F)cc3)CC2)cc1.
What is the InChIKey of N-(4-aminophenyl)-2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]acetamide;dihydrochloride?
The InChIKey is HUBAEOBNMRZNGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O.2ClH/c21-17-3-1-15(2-4-17)13-16-9-11-24(12-10-16)14-20(25)23-19-7-5-18(22)6-8-19;;/h1-8,16H,9-14,22H2,(H,23,25);2*1H.
What are the key properties of N-(4-aminophenyl)-2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]acetamide;dihydrochloride?
N-(4-aminophenyl)-2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]acetamide;dihydrochloride has a molecular weight of 414.35 g/mol, XLogP of 4.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]acetamide;dihydrochloride is sourced from PubChem (CID 69100448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).