N-(2-aminoethyl)-1-[[4-(3-fluorophenoxy)phenyl]methyl]piperidine-3-carboxamide

C21H26FN3O2 — CID 120837363

IUPACN-(2-aminoethyl)-1-[[4-(3-fluorophenoxy)phenyl]methyl]piperidine-3-carboxamide
SMILESNCCNC(=O)C1CCCN(Cc2ccc(Oc3cccc(F)c3)cc2)C1
InChIInChI=1S/C21H26FN3O2/c22-18-4-1-5-20(13-18)27-19-8-6-16(7-9-19)14-25-12-2-3-17(15-25)21(26)24-11-10-23/h1,4-9,13,17H,2-3,10-12,14-15,23H2,(H,24,26)
InChIKeySJBJHQNYCIBDCN-UHFFFAOYSA-N
MW371.46 g/mol
LogP2.90
Rot. Bonds7

About N-(2-aminoethyl)-1-[[4-(3-fluorophenoxy)phenyl]methyl]piperidine-3-carboxamide

N-(2-aminoethyl)-1-[[4-(3-fluorophenoxy)phenyl]methyl]piperidine-3-carboxamide (PubChem CID 120837363) has the molecular formula C21H26FN3O2 and a molecular weight of 371.46 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-[[4-(3-fluorophenoxy)phenyl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-[[4-(3-fluorophenoxy)phenyl]methyl]piperidine-3-carboxamide
PubChem CID120837363
Molecular FormulaC21H26FN3O2
Molecular Weight371.46 g/mol
Exact Mass371.20
IUPAC NameN-(2-aminoethyl)-1-[[4-(3-fluorophenoxy)phenyl]methyl]piperidine-3-carboxamide
SMILESNCCNC(=O)C1CCCN(Cc2ccc(Oc3cccc(F)c3)cc2)C1
InChIInChI=1S/C21H26FN3O2/c22-18-4-1-5-20(13-18)27-19-8-6-16(7-9-19)14-25-12-2-3-17(15-25)21(26)24-11-10-23/h1,4-9,13,17H,2-3,10-12,14-15,23H2,(H,24,26)
InChIKeySJBJHQNYCIBDCN-UHFFFAOYSA-N
XLogP2.90
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-1-[(4-phenylphenyl)methyl]piperidine-3-carboxamide
CID 119916886
N-(2-aminoethyl)-1-[(4-ethylphenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119917061
N-(2-aminoethyl)-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119916653
N-(2-aminoethyl)-1-[(4-bromo-3-fluorophenyl)methyl]piperidine-3-carboxamide
CID 81431674
(3S)-1-[(3-fluorophenyl)methyl]-N-propylpiperidine-3-carboxamide
CID 95138806
N-(2-aminoethyl)-1-[(2-chloro-4-fluorophenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119916869
N-(2-aminoethyl)-1-[(3,5-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 63252374
methyl 3-[[3-(2-aminoethylcarbamoyl)piperidin-1-yl]methyl]benzoate
CID 120837370
N-(2-aminoethyl)-1-[(2,6-dichlorophenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119916674
N-[3-(azepan-1-yl)propyl]-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide
CID 56545217
N-(2-aminoethyl)-1-[2-(4-fluorophenoxy)ethyl]piperidine-3-carboxamide
CID 119916756
N-(2-benzamidoethyl)-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide
CID 42962168

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-[[4-(3-fluorophenoxy)phenyl]methyl]piperidine-3-carboxamide?
The IUPAC name of N-(2-aminoethyl)-1-[[4-(3-fluorophenoxy)phenyl]methyl]piperidine-3-carboxamide (CID 120837363) is N-(2-aminoethyl)-1-[[4-(3-fluorophenoxy)phenyl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-1-[[4-(3-fluorophenoxy)phenyl]methyl]piperidine-3-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-1-[[4-(3-fluorophenoxy)phenyl]methyl]piperidine-3-carboxamide is NCCNC(=O)C1CCCN(Cc2ccc(Oc3cccc(F)c3)cc2)C1.
What is the InChIKey of N-(2-aminoethyl)-1-[[4-(3-fluorophenoxy)phenyl]methyl]piperidine-3-carboxamide?
The InChIKey is SJBJHQNYCIBDCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3O2/c22-18-4-1-5-20(13-18)27-19-8-6-16(7-9-19)14-25-12-2-3-17(15-25)21(26)24-11-10-23/h1,4-9,13,17H,2-3,10-12,14-15,23H2,(H,24,26).
What are the key properties of N-(2-aminoethyl)-1-[[4-(3-fluorophenoxy)phenyl]methyl]piperidine-3-carboxamide?
N-(2-aminoethyl)-1-[[4-(3-fluorophenoxy)phenyl]methyl]piperidine-3-carboxamide has a molecular weight of 371.46 g/mol, XLogP of 2.90, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1-[[4-(3-fluorophenoxy)phenyl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 120837363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).