N-(1-amino-4-methylpentan-2-yl)-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide;dihydrochloride

C19H32Cl2FN3O — CID 119588247

IUPACN-(1-amino-4-methylpentan-2-yl)-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide;dihydrochloride
SMILESCC(C)CC(CN)NC(=O)C1CCCN(Cc2cccc(F)c2)C1.Cl.Cl
InChIInChI=1S/C19H30FN3O.2ClH/c1-14(2)9-18(11-21)22-19(24)16-6-4-8-23(13-16)12-15-5-3-7-17(20)10-15;;/h3,5,7,10,14,16,18H,4,6,8-9,11-13,21H2,1-2H3,(H,22,24);2*1H
InChIKeyDZSUHVXUMHXAEF-UHFFFAOYSA-N
MW408.39 g/mol
LogP3.37
Rot. Bonds7

About N-(1-amino-4-methylpentan-2-yl)-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide;dihydrochloride

N-(1-amino-4-methylpentan-2-yl)-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide;dihydrochloride (PubChem CID 119588247) has the molecular formula C19H32Cl2FN3O and a molecular weight of 408.39 g/mol. Its IUPAC name is N-(1-amino-4-methylpentan-2-yl)-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-2-yl)-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide;dihydrochloride
PubChem CID119588247
Molecular FormulaC19H32Cl2FN3O
Molecular Weight408.39 g/mol
Exact Mass407.19
IUPAC NameN-(1-amino-4-methylpentan-2-yl)-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide;dihydrochloride
SMILESCC(C)CC(CN)NC(=O)C1CCCN(Cc2cccc(F)c2)C1.Cl.Cl
InChIInChI=1S/C19H30FN3O.2ClH/c1-14(2)9-18(11-21)22-19(24)16-6-4-8-23(13-16)12-15-5-3-7-17(20)10-15;;/h3,5,7,10,14,16,18H,4,6,8-9,11-13,21H2,1-2H3,(H,22,24);2*1H
InChIKeyDZSUHVXUMHXAEF-UHFFFAOYSA-N
XLogP3.37
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.39
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-[(3-fluorophenyl)methyl]-N-propylpiperidine-3-carboxamide
CID 95138806
(3R)-1-[(3-fluorophenyl)methyl]-N-[(1R)-1-pyridin-2-ylethyl]piperidine-3-carboxamide
CID 95234307
1-[[1-[(3-fluorophenyl)methyl]piperidine-3-carbonyl]amino]-3-methylurea
CID 86859369
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-(2-aminophenyl)-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide;dihydrochloride
CID 119422659
N-[(2S)-1-aminopropan-2-yl]-1-benzylpiperidine-3-carboxamide;dihydrochloride
CID 120507626
N-[3-(azepan-1-yl)propyl]-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide
CID 56545217
N-[2-(aminomethyl)cyclohexyl]-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide
CID 119611972
N-[3-(cyclopropanecarbonylamino)phenyl]-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide
CID 47805198
(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-(1-amino-4-methylpentan-2-yl)-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide;dihydrochloride?
The IUPAC name of N-(1-amino-4-methylpentan-2-yl)-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide;dihydrochloride (CID 119588247) is N-(1-amino-4-methylpentan-2-yl)-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-(1-amino-4-methylpentan-2-yl)-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide;dihydrochloride?
The canonical SMILES for N-(1-amino-4-methylpentan-2-yl)-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide;dihydrochloride is CC(C)CC(CN)NC(=O)C1CCCN(Cc2cccc(F)c2)C1.Cl.Cl.
What is the InChIKey of N-(1-amino-4-methylpentan-2-yl)-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide;dihydrochloride?
The InChIKey is DZSUHVXUMHXAEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30FN3O.2ClH/c1-14(2)9-18(11-21)22-19(24)16-6-4-8-23(13-16)12-15-5-3-7-17(20)10-15;;/h3,5,7,10,14,16,18H,4,6,8-9,11-13,21H2,1-2H3,(H,22,24);2*1H.
What are the key properties of N-(1-amino-4-methylpentan-2-yl)-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide;dihydrochloride?
N-(1-amino-4-methylpentan-2-yl)-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide;dihydrochloride has a molecular weight of 408.39 g/mol, XLogP of 3.37, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4-methylpentan-2-yl)-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 119588247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).