4-[(3-fluorophenyl)methylamino]-1-methylpiperidine-4-carboxamide

C14H20FN3O — CID 70952142

IUPAC4-[(3-fluorophenyl)methylamino]-1-methylpiperidine-4-carboxamide
SMILESCN1CCC(NCc2cccc(F)c2)(C(N)=O)CC1
InChIInChI=1S/C14H20FN3O/c1-18-7-5-14(6-8-18,13(16)19)17-10-11-3-2-4-12(15)9-11/h2-4,9,17H,5-8,10H2,1H3,(H2,16,19)
InChIKeyUAXPBTYPWPFZAW-UHFFFAOYSA-N
MW265.33 g/mol
LogP0.87
Rot. Bonds4

About 4-[(3-fluorophenyl)methylamino]-1-methylpiperidine-4-carboxamide

4-[(3-fluorophenyl)methylamino]-1-methylpiperidine-4-carboxamide (PubChem CID 70952142) has the molecular formula C14H20FN3O and a molecular weight of 265.33 g/mol. Its IUPAC name is 4-[(3-fluorophenyl)methylamino]-1-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name4-[(3-fluorophenyl)methylamino]-1-methylpiperidine-4-carboxamide
PubChem CID70952142
Molecular FormulaC14H20FN3O
Molecular Weight265.33 g/mol
Exact Mass265.16
IUPAC Name4-[(3-fluorophenyl)methylamino]-1-methylpiperidine-4-carboxamide
SMILESCN1CCC(NCc2cccc(F)c2)(C(N)=O)CC1
InChIInChI=1S/C14H20FN3O/c1-18-7-5-14(6-8-18,13(16)19)17-10-11-3-2-4-12(15)9-11/h2-4,9,17H,5-8,10H2,1H3,(H2,16,19)
InChIKeyUAXPBTYPWPFZAW-UHFFFAOYSA-N
XLogP0.87
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(benzylamino)-1-methylazepane-4-carboxamide
CID 65075475
4-(benzylamino)-1-(2-phenylethyl)piperidine-4-carboxamide
CID 113225254
N-(cyclopropylmethyl)-4-[(3-fluorophenyl)methyl]-1-methylpiperidine-4-carboxamide
CID 110111262
1-(4-carbamothioyl-1-methylpiperidin-4-yl)-3-(3-fluorophenyl)urea
CID 61123946
1-N-[(3-fluorophenyl)methyl]piperidine-1,4-dicarboxamide
CID 47027642
benzyl 4-(benzylamino)-4-carbamoylpiperidine-1-carboxylate
CID 130516767
4-(benzylamino)-1-propan-2-ylazepane-4-carboxamide
CID 65075738
(3R)-N-[(3-fluorophenyl)methyl]-3-methyl-1,1-dioxothiolan-3-amine
CID 129364703
(4,4-difluoropiperidin-1-yl)-[4-[(3-fluorophenyl)methyl]-1-methylpiperidin-4-yl]methanone
CID 110090792
ethyl 4-(benzylamino)-1-methylazepane-4-carboxylate
CID 65074800
1-carbamothioyl-N-[(3-fluorophenyl)methyl]cyclopropane-1-carboxamide
CID 80592746
4-(3-fluoroanilino)-1-methyl-N-propan-2-ylpiperidine-4-carboxamide
CID 155878797

Frequently Asked Questions

What is the IUPAC name of 4-[(3-fluorophenyl)methylamino]-1-methylpiperidine-4-carboxamide?
The IUPAC name of 4-[(3-fluorophenyl)methylamino]-1-methylpiperidine-4-carboxamide (CID 70952142) is 4-[(3-fluorophenyl)methylamino]-1-methylpiperidine-4-carboxamide.
What is the SMILES notation for 4-[(3-fluorophenyl)methylamino]-1-methylpiperidine-4-carboxamide?
The canonical SMILES for 4-[(3-fluorophenyl)methylamino]-1-methylpiperidine-4-carboxamide is CN1CCC(NCc2cccc(F)c2)(C(N)=O)CC1.
What is the InChIKey of 4-[(3-fluorophenyl)methylamino]-1-methylpiperidine-4-carboxamide?
The InChIKey is UAXPBTYPWPFZAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O/c1-18-7-5-14(6-8-18,13(16)19)17-10-11-3-2-4-12(15)9-11/h2-4,9,17H,5-8,10H2,1H3,(H2,16,19).
What are the key properties of 4-[(3-fluorophenyl)methylamino]-1-methylpiperidine-4-carboxamide?
4-[(3-fluorophenyl)methylamino]-1-methylpiperidine-4-carboxamide has a molecular weight of 265.33 g/mol, XLogP of 0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-fluorophenyl)methylamino]-1-methylpiperidine-4-carboxamide is sourced from PubChem (CID 70952142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).