N-[2-(aminomethyl)cyclohexyl]-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide;dihydrochloride

C20H32Cl2FN3O — CID 119611971

IUPACN-[2-(aminomethyl)cyclohexyl]-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide;dihydrochloride
SMILESCl.Cl.NCC1CCCCC1NC(=O)C1CCCN(Cc2cccc(F)c2)C1
InChIInChI=1S/C20H30FN3O.2ClH/c21-18-8-3-5-15(11-18)13-24-10-4-7-17(14-24)20(25)23-19-9-2-1-6-16(19)12-22;;/h3,5,8,11,16-17,19H,1-2,4,6-7,9-10,12-14,22H2,(H,23,25);2*1H
InChIKeySFWYBKYLACBTBF-UHFFFAOYSA-N
MW420.40 g/mol
LogP3.52
Rot. Bonds5

About N-[2-(aminomethyl)cyclohexyl]-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide;dihydrochloride

N-[2-(aminomethyl)cyclohexyl]-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide;dihydrochloride (PubChem CID 119611971) has the molecular formula C20H32Cl2FN3O and a molecular weight of 420.40 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclohexyl]-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclohexyl]-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide;dihydrochloride
PubChem CID119611971
Molecular FormulaC20H32Cl2FN3O
Molecular Weight420.40 g/mol
Exact Mass419.19
IUPAC NameN-[2-(aminomethyl)cyclohexyl]-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide;dihydrochloride
SMILESCl.Cl.NCC1CCCCC1NC(=O)C1CCCN(Cc2cccc(F)c2)C1
InChIInChI=1S/C20H30FN3O.2ClH/c21-18-8-3-5-15(11-18)13-24-10-4-7-17(14-24)20(25)23-19-9-2-1-6-16(19)12-22;;/h3,5,8,11,16-17,19H,1-2,4,6-7,9-10,12-14,22H2,(H,23,25);2*1H
InChIKeySFWYBKYLACBTBF-UHFFFAOYSA-N
XLogP3.52
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.40
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(aminomethyl)cyclohexyl]-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide
CID 119611972
(3R)-1-[(3-fluorophenyl)methyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 94819145
N-[1-(aminomethyl)cyclopentyl]-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide
CID 119567883
N-(2-aminophenyl)-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide;dihydrochloride
CID 119422659
N-(1-amino-4-methylpentan-2-yl)-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide;dihydrochloride
CID 119588247
N-[3-(cyclopropanecarbonylamino)phenyl]-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide
CID 47805198
(3S)-1-[(3-fluorophenyl)methyl]-N-propylpiperidine-3-carboxamide
CID 95138806
1-[[1-[(3-fluorophenyl)methyl]piperidine-3-carbonyl]amino]-3-methylurea
CID 86859369
ethyl 4-[[1-[(3-fluorophenyl)methyl]piperidine-3-carbonyl]amino]piperidine-1-carboxylate
CID 47802432
N-[2-(aminomethyl)cyclohexyl]-1-[(3-fluorophenyl)methyl]triazole-4-carboxamide;hydrochloride
CID 119610471
1-[(3-fluorophenyl)methyl]-N-pyridin-4-ylpiperidine-3-carboxamide
CID 47803084
N-[3-(azepan-1-yl)propyl]-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide
CID 56545217

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclohexyl]-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide;dihydrochloride?
The IUPAC name of N-[2-(aminomethyl)cyclohexyl]-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide;dihydrochloride (CID 119611971) is N-[2-(aminomethyl)cyclohexyl]-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-[2-(aminomethyl)cyclohexyl]-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide;dihydrochloride?
The canonical SMILES for N-[2-(aminomethyl)cyclohexyl]-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide;dihydrochloride is Cl.Cl.NCC1CCCCC1NC(=O)C1CCCN(Cc2cccc(F)c2)C1.
What is the InChIKey of N-[2-(aminomethyl)cyclohexyl]-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide;dihydrochloride?
The InChIKey is SFWYBKYLACBTBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30FN3O.2ClH/c21-18-8-3-5-15(11-18)13-24-10-4-7-17(14-24)20(25)23-19-9-2-1-6-16(19)12-22;;/h3,5,8,11,16-17,19H,1-2,4,6-7,9-10,12-14,22H2,(H,23,25);2*1H.
What are the key properties of N-[2-(aminomethyl)cyclohexyl]-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide;dihydrochloride?
N-[2-(aminomethyl)cyclohexyl]-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide;dihydrochloride has a molecular weight of 420.40 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclohexyl]-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 119611971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).