1-[(4-fluorophenyl)methyl]-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]pyrrolidine-2-carboxamide;dihydrochloride

C20H32Cl2FN3O2 — CID 120887115

IUPAC1-[(4-fluorophenyl)methyl]-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]pyrrolidine-2-carboxamide;dihydrochloride
SMILESCOCC1(CNC(=O)C2CCCN2Cc2ccc(F)cc2)CCNCC1.Cl.Cl
InChIInChI=1S/C20H30FN3O2.2ClH/c1-26-15-20(8-10-22-11-9-20)14-23-19(25)18-3-2-12-24(18)13-16-4-6-17(21)7-5-16;;/h4-7,18,22H,2-3,8-15H2,1H3,(H,23,25);2*1H
InChIKeyYIRKFZMOFDWZCR-UHFFFAOYSA-N
MW436.40 g/mol
LogP2.77
Rot. Bonds7

About 1-[(4-fluorophenyl)methyl]-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]pyrrolidine-2-carboxamide;dihydrochloride

1-[(4-fluorophenyl)methyl]-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]pyrrolidine-2-carboxamide;dihydrochloride (PubChem CID 120887115) has the molecular formula C20H32Cl2FN3O2 and a molecular weight of 436.40 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]pyrrolidine-2-carboxamide;dihydrochloride.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]pyrrolidine-2-carboxamide;dihydrochloride
PubChem CID120887115
Molecular FormulaC20H32Cl2FN3O2
Molecular Weight436.40 g/mol
Exact Mass435.19
IUPAC Name1-[(4-fluorophenyl)methyl]-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]pyrrolidine-2-carboxamide;dihydrochloride
SMILESCOCC1(CNC(=O)C2CCCN2Cc2ccc(F)cc2)CCNCC1.Cl.Cl
InChIInChI=1S/C20H30FN3O2.2ClH/c1-26-15-20(8-10-22-11-9-20)14-23-19(25)18-3-2-12-24(18)13-16-4-6-17(21)7-5-16;;/h4-7,18,22H,2-3,8-15H2,1H3,(H,23,25);2*1H
InChIKeyYIRKFZMOFDWZCR-UHFFFAOYSA-N
XLogP2.77
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.40
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(4-fluorophenyl)methyl]-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]pyrrolidine-2-carboxamide;dihydrochloride with MolForge

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Related Compounds

1-[(4-fluorophenyl)methyl]-N-[(1-hydroxycyclopentyl)methyl]pyrrolidine-2-carboxamide
CID 111593130
1-[(4-fluorophenyl)methyl]-N-methylpyrrolidine-2-carboxamide
CID 47377078
2-(4-fluorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]cyclopropane-1-carboxamide
CID 120889999
4-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120890009
3-[[(2S)-1-[(4-fluorophenyl)methyl]pyrrolidine-2-carbonyl]amino]propanoic acid
CID 125118795
(3R)-4-benzyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-5-oxomorpholine-3-carboxamide;hydrochloride
CID 120887123
4-(4-fluorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-oxobutanamide;hydrochloride
CID 120890290
N-[3-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-4-(methoxymethyl)piperidine-4-carboxamide;dihydrochloride
CID 120643884
1-[(4-fluorophenyl)methyl]-N-[2-(methylamino)propyl]piperidine-2-carboxamide;hydrochloride
CID 120826744
3-(4-fluorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]butanamide;hydrochloride
CID 120889158
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]bicyclo[4.1.0]heptane-7-carboxamide
CID 120887599
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide
CID 120887186

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]pyrrolidine-2-carboxamide;dihydrochloride?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]pyrrolidine-2-carboxamide;dihydrochloride (CID 120887115) is 1-[(4-fluorophenyl)methyl]-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]pyrrolidine-2-carboxamide;dihydrochloride.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]pyrrolidine-2-carboxamide;dihydrochloride?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]pyrrolidine-2-carboxamide;dihydrochloride is COCC1(CNC(=O)C2CCCN2Cc2ccc(F)cc2)CCNCC1.Cl.Cl.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]pyrrolidine-2-carboxamide;dihydrochloride?
The InChIKey is YIRKFZMOFDWZCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30FN3O2.2ClH/c1-26-15-20(8-10-22-11-9-20)14-23-19(25)18-3-2-12-24(18)13-16-4-6-17(21)7-5-16;;/h4-7,18,22H,2-3,8-15H2,1H3,(H,23,25);2*1H.
What are the key properties of 1-[(4-fluorophenyl)methyl]-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]pyrrolidine-2-carboxamide;dihydrochloride?
1-[(4-fluorophenyl)methyl]-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]pyrrolidine-2-carboxamide;dihydrochloride has a molecular weight of 436.40 g/mol, XLogP of 2.77, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]pyrrolidine-2-carboxamide;dihydrochloride is sourced from PubChem (CID 120887115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).