N-[[4-(diethylamino)phenyl]methyl]-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide

C24H32FN3O — CID 133210494

IUPACN-[[4-(diethylamino)phenyl]methyl]-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
SMILESCCN(CC)c1ccc(CNC(=O)C2CCCN(Cc3ccc(F)cc3)C2)cc1
InChIInChI=1S/C24H32FN3O/c1-3-28(4-2)23-13-9-19(10-14-23)16-26-24(29)21-6-5-15-27(18-21)17-20-7-11-22(25)12-8-20/h7-14,21H,3-6,15-18H2,1-2H3,(H,26,29)
InChIKeyLAMWKKSSVBOSEM-UHFFFAOYSA-N
MW397.54 g/mol
LogP4.20
Rot. Bonds8

About N-[[4-(diethylamino)phenyl]methyl]-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide

N-[[4-(diethylamino)phenyl]methyl]-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide (PubChem CID 133210494) has the molecular formula C24H32FN3O and a molecular weight of 397.54 g/mol. Its IUPAC name is N-[[4-(diethylamino)phenyl]methyl]-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[[4-(diethylamino)phenyl]methyl]-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
PubChem CID133210494
Molecular FormulaC24H32FN3O
Molecular Weight397.54 g/mol
Exact Mass397.25
IUPAC NameN-[[4-(diethylamino)phenyl]methyl]-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
SMILESCCN(CC)c1ccc(CNC(=O)C2CCCN(Cc3ccc(F)cc3)C2)cc1
InChIInChI=1S/C24H32FN3O/c1-3-28(4-2)23-13-9-19(10-14-23)16-26-24(29)21-6-5-15-27(18-21)17-20-7-11-22(25)12-8-20/h7-14,21H,3-6,15-18H2,1-2H3,(H,26,29)
InChIKeyLAMWKKSSVBOSEM-UHFFFAOYSA-N
XLogP4.20
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.54
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-[(4-ethoxyphenyl)methyl]-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 46774647
(3S)-1-[(4-fluorophenyl)methyl]-N-[(4-piperidin-1-ylphenyl)methyl]piperidine-3-carboxamide
CID 94021500
(3R)-1-[(4-fluorophenyl)methyl]-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide
CID 94022035
1-[(4-fluorophenyl)methyl]-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
CID 133204271
N,1-dibenzylpiperidine-3-carboxamide
CID 43918745
1-(4-fluorobenzoyl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
CID 55454977
1-[(4-fluorophenyl)methyl]-N-[2-(N-methylanilino)ethyl]piperidine-3-carboxamide
CID 46775234
1-[(4-methylphenyl)methyl]-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-3-carboxamide
CID 43917349
4-[[[(3R)-1-benzylpiperidine-3-carbonyl]amino]methyl]benzoic acid
CID 124703905
(3R)-1-acetyl-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 9270503
(3R)-1-[(4-fluorophenyl)methyl]-N-[(2,3,4-trimethoxyphenyl)methyl]piperidine-3-carboxamide
CID 94015942
(3R)-N-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 93490550

Frequently Asked Questions

What is the IUPAC name of N-[[4-(diethylamino)phenyl]methyl]-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of N-[[4-(diethylamino)phenyl]methyl]-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide (CID 133210494) is N-[[4-(diethylamino)phenyl]methyl]-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-[[4-(diethylamino)phenyl]methyl]-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for N-[[4-(diethylamino)phenyl]methyl]-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide is CCN(CC)c1ccc(CNC(=O)C2CCCN(Cc3ccc(F)cc3)C2)cc1.
What is the InChIKey of N-[[4-(diethylamino)phenyl]methyl]-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide?
The InChIKey is LAMWKKSSVBOSEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32FN3O/c1-3-28(4-2)23-13-9-19(10-14-23)16-26-24(29)21-6-5-15-27(18-21)17-20-7-11-22(25)12-8-20/h7-14,21H,3-6,15-18H2,1-2H3,(H,26,29).
What are the key properties of N-[[4-(diethylamino)phenyl]methyl]-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide?
N-[[4-(diethylamino)phenyl]methyl]-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide has a molecular weight of 397.54 g/mol, XLogP of 4.20, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(diethylamino)phenyl]methyl]-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 133210494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).