1-[(4-fluorophenyl)methyl]-N-[2-(methylamino)propyl]piperidine-2-carboxamide;hydrochloride

C17H27ClFN3O — CID 120826744

IUPAC1-[(4-fluorophenyl)methyl]-N-[2-(methylamino)propyl]piperidine-2-carboxamide;hydrochloride
SMILESCNC(C)CNC(=O)C1CCCCN1Cc1ccc(F)cc1.Cl
InChIInChI=1S/C17H26FN3O.ClH/c1-13(19-2)11-20-17(22)16-5-3-4-10-21(16)12-14-6-8-15(18)9-7-14;/h6-9,13,16,19H,3-5,10-12H2,1-2H3,(H,20,22);1H
InChIKeyAEPMNPNYRILFPO-UHFFFAOYSA-N
MW343.87 g/mol
LogP2.33
Rot. Bonds6

About 1-[(4-fluorophenyl)methyl]-N-[2-(methylamino)propyl]piperidine-2-carboxamide;hydrochloride

1-[(4-fluorophenyl)methyl]-N-[2-(methylamino)propyl]piperidine-2-carboxamide;hydrochloride (PubChem CID 120826744) has the molecular formula C17H27ClFN3O and a molecular weight of 343.87 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-N-[2-(methylamino)propyl]piperidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-N-[2-(methylamino)propyl]piperidine-2-carboxamide;hydrochloride
PubChem CID120826744
Molecular FormulaC17H27ClFN3O
Molecular Weight343.87 g/mol
Exact Mass343.18
IUPAC Name1-[(4-fluorophenyl)methyl]-N-[2-(methylamino)propyl]piperidine-2-carboxamide;hydrochloride
SMILESCNC(C)CNC(=O)C1CCCCN1Cc1ccc(F)cc1.Cl
InChIInChI=1S/C17H26FN3O.ClH/c1-13(19-2)11-20-17(22)16-5-3-4-10-21(16)12-14-6-8-15(18)9-7-14;/h6-9,13,16,19H,3-5,10-12H2,1-2H3,(H,20,22);1H
InChIKeyAEPMNPNYRILFPO-UHFFFAOYSA-N
XLogP2.33
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.87
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-N-[2-(methylamino)propyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 120829939
1-[(4-fluorophenyl)methyl]-N-methylpyrrolidine-2-carboxamide
CID 47377078
N-[2-(4-aminophenyl)ethyl]-1-[(4-fluorophenyl)methyl]piperidine-2-carboxamide
CID 119548242
3-[[(2S)-1-[(4-fluorophenyl)methyl]pyrrolidine-2-carbonyl]amino]propanoic acid
CID 125118795
N-(2-amino-1-cyclopropylethyl)-1-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119614467
1-[(4-fluorophenyl)methyl]-N-[(1-hydroxycyclopentyl)methyl]pyrrolidine-2-carboxamide
CID 111593130
1-(4-fluorobenzoyl)-N-[2-(methylamino)propyl]piperidine-3-carboxamide;hydrochloride
CID 120831343
1-(benzenesulfonyl)-N-[2-(methylamino)propyl]piperidine-2-carboxamide;hydrochloride
CID 120827221
1-benzyl-N-[3-(methylamino)propyl]piperidine-2-carboxamide;dihydrochloride
CID 119433038
2-[[1-[(4-fluorophenyl)methyl]pyrrolidine-2-carbonyl]-methylamino]propanoic acid
CID 154740345
1-benzyl-N-[2-(methylamino)propyl]piperidine-4-carboxamide;dihydrochloride
CID 120831634
3-[[1-[(4-fluorophenyl)methyl]piperidine-2-carbonyl]-methylamino]propanoic acid
CID 119362431

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-N-[2-(methylamino)propyl]piperidine-2-carboxamide;hydrochloride?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-N-[2-(methylamino)propyl]piperidine-2-carboxamide;hydrochloride (CID 120826744) is 1-[(4-fluorophenyl)methyl]-N-[2-(methylamino)propyl]piperidine-2-carboxamide;hydrochloride.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-N-[2-(methylamino)propyl]piperidine-2-carboxamide;hydrochloride?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-N-[2-(methylamino)propyl]piperidine-2-carboxamide;hydrochloride is CNC(C)CNC(=O)C1CCCCN1Cc1ccc(F)cc1.Cl.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-N-[2-(methylamino)propyl]piperidine-2-carboxamide;hydrochloride?
The InChIKey is AEPMNPNYRILFPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FN3O.ClH/c1-13(19-2)11-20-17(22)16-5-3-4-10-21(16)12-14-6-8-15(18)9-7-14;/h6-9,13,16,19H,3-5,10-12H2,1-2H3,(H,20,22);1H.
What are the key properties of 1-[(4-fluorophenyl)methyl]-N-[2-(methylamino)propyl]piperidine-2-carboxamide;hydrochloride?
1-[(4-fluorophenyl)methyl]-N-[2-(methylamino)propyl]piperidine-2-carboxamide;hydrochloride has a molecular weight of 343.87 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-N-[2-(methylamino)propyl]piperidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 120826744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).