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

C20H30FN3O — CID 119611972

IUPACN-[2-(aminomethyl)cyclohexyl]-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide
SMILESNCC1CCCCC1NC(=O)C1CCCN(Cc2cccc(F)c2)C1
InChIInChI=1S/C20H30FN3O/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)
InChIKeyWAEDWSRPPINQOP-UHFFFAOYSA-N
MW347.48 g/mol
LogP2.67
Rot. Bonds5

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

N-[2-(aminomethyl)cyclohexyl]-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide (PubChem CID 119611972) has the molecular formula C20H30FN3O and a molecular weight of 347.48 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclohexyl]-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclohexyl]-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide
PubChem CID119611972
Molecular FormulaC20H30FN3O
Molecular Weight347.48 g/mol
Exact Mass347.24
IUPAC NameN-[2-(aminomethyl)cyclohexyl]-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide
SMILESNCC1CCCCC1NC(=O)C1CCCN(Cc2cccc(F)c2)C1
InChIInChI=1S/C20H30FN3O/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)
InChIKeyWAEDWSRPPINQOP-UHFFFAOYSA-N
XLogP2.67
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 52.67
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;dihydrochloride
CID 119611971
(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-[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-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
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
(3S)-N-[2-(dimethylamino)-2-oxoethyl]-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide
CID 94816306

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclohexyl]-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of N-[2-(aminomethyl)cyclohexyl]-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide (CID 119611972) is N-[2-(aminomethyl)cyclohexyl]-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclohexyl]-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for N-[2-(aminomethyl)cyclohexyl]-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide is NCC1CCCCC1NC(=O)C1CCCN(Cc2cccc(F)c2)C1.
What is the InChIKey of N-[2-(aminomethyl)cyclohexyl]-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide?
The InChIKey is WAEDWSRPPINQOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30FN3O/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).
What are the key properties of N-[2-(aminomethyl)cyclohexyl]-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide?
N-[2-(aminomethyl)cyclohexyl]-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide has a molecular weight of 347.48 g/mol, XLogP of 2.67, 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 is sourced from PubChem (CID 119611972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).