4-[(3-fluorophenyl)methylamino]-N,N-dimethylpiperidine-1-carboxamide

C15H22FN3O — CID 83201814

IUPAC4-[(3-fluorophenyl)methylamino]-N,N-dimethylpiperidine-1-carboxamide
SMILESCN(C)C(=O)N1CCC(NCc2cccc(F)c2)CC1
InChIInChI=1S/C15H22FN3O/c1-18(2)15(20)19-8-6-14(7-9-19)17-11-12-4-3-5-13(16)10-12/h3-5,10,14,17H,6-9,11H2,1-2H3
InChIKeyLZIJTHVIUGYCJE-UHFFFAOYSA-N
MW279.36 g/mol
LogP2.06
Rot. Bonds3

About 4-[(3-fluorophenyl)methylamino]-N,N-dimethylpiperidine-1-carboxamide

4-[(3-fluorophenyl)methylamino]-N,N-dimethylpiperidine-1-carboxamide (PubChem CID 83201814) has the molecular formula C15H22FN3O and a molecular weight of 279.36 g/mol. Its IUPAC name is 4-[(3-fluorophenyl)methylamino]-N,N-dimethylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[(3-fluorophenyl)methylamino]-N,N-dimethylpiperidine-1-carboxamide
PubChem CID83201814
Molecular FormulaC15H22FN3O
Molecular Weight279.36 g/mol
Exact Mass279.17
IUPAC Name4-[(3-fluorophenyl)methylamino]-N,N-dimethylpiperidine-1-carboxamide
SMILESCN(C)C(=O)N1CCC(NCc2cccc(F)c2)CC1
InChIInChI=1S/C15H22FN3O/c1-18(2)15(20)19-8-6-14(7-9-19)17-11-12-4-3-5-13(16)10-12/h3-5,10,14,17H,6-9,11H2,1-2H3
InChIKeyLZIJTHVIUGYCJE-UHFFFAOYSA-N
XLogP2.06
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-[(3-fluorophenyl)methylamino]piperidin-1-yl]-2-methylpropan-1-one
CID 43434840
2-(3-fluorophenyl)-N-[1-(2-methylpropanoyl)piperidin-4-yl]acetamide
CID 32541358
4-(2,4-difluoroanilino)-N,N-dimethylpiperidine-1-carboxamide
CID 83262257
4-[4-(3-fluorophenyl)-3-methylbutanoyl]-N,N-dimethylpiperazine-1-carboxamide
CID 71866997
tert-butyl N-[4-[(3-fluorophenyl)methylamino]cyclohexyl]carbamate
CID 86277339
4-(3,5-difluoroanilino)-N,N-dimethylpiperidine-1-carboxamide
CID 83202832
N-[1-[2-(3-fluorophenyl)acetyl]piperidin-4-yl]acetamide
CID 49349287
2-(3-fluorophenyl)-N-[1-(3-methylbutanoyl)piperidin-4-yl]acetamide
CID 51093724
CID 140622429
CID 140622429
N-[(3-fluorophenyl)methyl]-1-pyridin-2-ylpiperidin-4-amine
CID 43675369
1-[4-[(2,5-difluorophenyl)methylamino]piperidin-1-yl]ethanone
CID 43745932
N,N-dimethyl-4-[(5-methylpyrazin-2-yl)methylamino]piperidine-1-carboxamide
CID 83261720

Frequently Asked Questions

What is the IUPAC name of 4-[(3-fluorophenyl)methylamino]-N,N-dimethylpiperidine-1-carboxamide?
The IUPAC name of 4-[(3-fluorophenyl)methylamino]-N,N-dimethylpiperidine-1-carboxamide (CID 83201814) is 4-[(3-fluorophenyl)methylamino]-N,N-dimethylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[(3-fluorophenyl)methylamino]-N,N-dimethylpiperidine-1-carboxamide?
The canonical SMILES for 4-[(3-fluorophenyl)methylamino]-N,N-dimethylpiperidine-1-carboxamide is CN(C)C(=O)N1CCC(NCc2cccc(F)c2)CC1.
What is the InChIKey of 4-[(3-fluorophenyl)methylamino]-N,N-dimethylpiperidine-1-carboxamide?
The InChIKey is LZIJTHVIUGYCJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O/c1-18(2)15(20)19-8-6-14(7-9-19)17-11-12-4-3-5-13(16)10-12/h3-5,10,14,17H,6-9,11H2,1-2H3.
What are the key properties of 4-[(3-fluorophenyl)methylamino]-N,N-dimethylpiperidine-1-carboxamide?
4-[(3-fluorophenyl)methylamino]-N,N-dimethylpiperidine-1-carboxamide has a molecular weight of 279.36 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-fluorophenyl)methylamino]-N,N-dimethylpiperidine-1-carboxamide is sourced from PubChem (CID 83201814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).