N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-5-(methoxymethyl)-N-methylfuran-2-carboxamide

C20H25FN2O3 — CID 24817765

IUPACN-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-5-(methoxymethyl)-N-methylfuran-2-carboxamide
SMILESCOCc1ccc(C(=O)N(C)C2CCCN(Cc3ccccc3F)C2)o1
InChIInChI=1S/C20H25FN2O3/c1-22(20(24)19-10-9-17(26-19)14-25-2)16-7-5-11-23(13-16)12-15-6-3-4-8-18(15)21/h3-4,6,8-10,16H,5,7,11-14H2,1-2H3
InChIKeyNTFXCQVPYIPWFA-UHFFFAOYSA-N
MW360.43 g/mol
LogP3.30
Rot. Bonds6

About N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-5-(methoxymethyl)-N-methylfuran-2-carboxamide

N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-5-(methoxymethyl)-N-methylfuran-2-carboxamide (PubChem CID 24817765) has the molecular formula C20H25FN2O3 and a molecular weight of 360.43 g/mol. Its IUPAC name is N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-5-(methoxymethyl)-N-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-5-(methoxymethyl)-N-methylfuran-2-carboxamide
PubChem CID24817765
Molecular FormulaC20H25FN2O3
Molecular Weight360.43 g/mol
Exact Mass360.18
IUPAC NameN-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-5-(methoxymethyl)-N-methylfuran-2-carboxamide
SMILESCOCc1ccc(C(=O)N(C)C2CCCN(Cc3ccccc3F)C2)o1
InChIInChI=1S/C20H25FN2O3/c1-22(20(24)19-10-9-17(26-19)14-25-2)16-7-5-11-23(13-16)12-15-6-3-4-8-18(15)21/h3-4,6,8-10,16H,5,7,11-14H2,1-2H3
InChIKeyNTFXCQVPYIPWFA-UHFFFAOYSA-N
XLogP3.30
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.43
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

NS6740
CID 10021664
Furan-2-carboxamide deriv., 19
CID 44236905
(4-Isopropyl-piperazin-1-yl)-(5-piperidin-1-ylmethylfuran-2-yl)-methanone
CID 11244101
[5-(4-Isopropyl-phenoxymethyl)-furan-2-yl]-pyrrolidin-1-yl-methanone
CID 717029
5-[(4-tert-butylphenoxy)methyl]-N-isopropyl-2-furamide
CID 892519
[5-(3,4-Dimethyl-phenoxymethyl)-furan-2-yl]-pyrrolidin-1-yl-methanone
CID 1084328
[5-(4-Propyl-phenoxymethyl)-furan-2-yl]-pyrrolidin-1-yl-methanone
CID 1091762
5-[(2-methoxyphenoxy)methyl]-N-(1-phenylethyl)-2-furamide
CID 2942268
N-[2-phenyl-1-(1-piperidinylcarbonyl)vinyl]-2-furamide
CID 738317
1-[4-(1-Benzofuran-2-carbonyl)piperazin-1-yl]ethanone
CID 2116981
5-[(4-methylphenoxy)methyl]-N-propyl-2-furamide
CID 2200397
[2-[(4-Fluorophenyl)methylamino]-2-oxoethyl] 5-methylfuran-2-carboxylate
CID 2559682

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-5-(methoxymethyl)-N-methylfuran-2-carboxamide?
The IUPAC name of N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-5-(methoxymethyl)-N-methylfuran-2-carboxamide (CID 24817765) is N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-5-(methoxymethyl)-N-methylfuran-2-carboxamide.
What is the SMILES notation for N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-5-(methoxymethyl)-N-methylfuran-2-carboxamide?
The canonical SMILES for N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-5-(methoxymethyl)-N-methylfuran-2-carboxamide is COCc1ccc(C(=O)N(C)C2CCCN(Cc3ccccc3F)C2)o1.
What is the InChIKey of N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-5-(methoxymethyl)-N-methylfuran-2-carboxamide?
The InChIKey is NTFXCQVPYIPWFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O3/c1-22(20(24)19-10-9-17(26-19)14-25-2)16-7-5-11-23(13-16)12-15-6-3-4-8-18(15)21/h3-4,6,8-10,16H,5,7,11-14H2,1-2H3.
What are the key properties of N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-5-(methoxymethyl)-N-methylfuran-2-carboxamide?
N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-5-(methoxymethyl)-N-methylfuran-2-carboxamide has a molecular weight of 360.43 g/mol, XLogP of 3.30, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-5-(methoxymethyl)-N-methylfuran-2-carboxamide is sourced from PubChem (CID 24817765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).