[4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(furan-3-yl)methanone

C18H22FN3O2 — CID 42606461

IUPAC[4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(furan-3-yl)methanone
SMILESCc1ccc(CNCC2(F)CCN(C(=O)c3ccoc3)CC2)nc1
InChIInChI=1S/C18H22FN3O2/c1-14-2-3-16(21-10-14)11-20-13-18(19)5-7-22(8-6-18)17(23)15-4-9-24-12-15/h2-4,9-10,12,20H,5-8,11,13H2,1H3
InChIKeyOIRCXJFVSSBRAI-UHFFFAOYSA-N
MW331.39 g/mol
LogP2.72
Rot. Bonds5

About [4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(furan-3-yl)methanone

[4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(furan-3-yl)methanone (PubChem CID 42606461) has the molecular formula C18H22FN3O2 and a molecular weight of 331.39 g/mol. Its IUPAC name is [4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(furan-3-yl)methanone.

Molecular Properties

Compound Name[4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(furan-3-yl)methanone
PubChem CID42606461
Molecular FormulaC18H22FN3O2
Molecular Weight331.39 g/mol
Exact Mass331.17
IUPAC Name[4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(furan-3-yl)methanone
SMILESCc1ccc(CNCC2(F)CCN(C(=O)c3ccoc3)CC2)nc1
InChIInChI=1S/C18H22FN3O2/c1-14-2-3-16(21-10-14)11-20-13-18(19)5-7-22(8-6-18)17(23)15-4-9-24-12-15/h2-4,9-10,12,20H,5-8,11,13H2,1H3
InChIKeyOIRCXJFVSSBRAI-UHFFFAOYSA-N
XLogP2.72
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(furan-3-yl)methanone with MolForge

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Related Compounds

2,5-dimethyl-N-(pyridin-4-yl)furan-3-carboxamide
CID 17248960
N-{2-Furan-2-yl-1-[(pyridin-2-ylmethyl)-carbamoyl]-vinyl}-benzamide
CID 5765254
2-Methyl-furan-3-carboxylic acid pyridin-2-ylmethylene-hydrazide
CID 6871824
Furan-3-carboxylic acid (2-chloro-pyridin-3-yl)-(1-phenethyl-piperidin-4-yl)-amide
CID 14330375
(4-Fluoro-4-{[(5-methyl-pyridin-2-ylmethyl)-amino]-methyl}-piperidin-1-yl)-furan-2-yl-methanone
CID 42606459
(5-Bromofuran-3-yl)-[4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone
CID 42606571
Benzofuran-3-yl(4-fluoro-4-(((5-methylpyridin-2-yl)methylamino)methyl)piperidin-1-yl)methanone
CID 42606573
2-methyl-N-(pyridin-3-yl)furan-3-carboxamide
CID 573291
2-methyl-N-(2-pyridinylmethyl)-3-furamide
CID 896600
N-{4-[N-(2-methyl-3-furoyl)ethanehydrazonoyl]phenyl}isonicotinamide
CID 6156074
N-Ethyl-4-[(8-furan-3-ylmethyl-8-aza-bicyclo[3.2.1]oct-3-ylidene)-pyridin-2-yl-methyl]-benzamide
CID 44395649
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[(4-phenyl-3-pyridinyl)methyl]furan-3-carboxamide
CID 73357026

Frequently Asked Questions

What is the IUPAC name of [4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(furan-3-yl)methanone?
The IUPAC name of [4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(furan-3-yl)methanone (CID 42606461) is [4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(furan-3-yl)methanone.
What is the SMILES notation for [4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(furan-3-yl)methanone?
The canonical SMILES for [4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(furan-3-yl)methanone is Cc1ccc(CNCC2(F)CCN(C(=O)c3ccoc3)CC2)nc1.
What is the InChIKey of [4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(furan-3-yl)methanone?
The InChIKey is OIRCXJFVSSBRAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O2/c1-14-2-3-16(21-10-14)11-20-13-18(19)5-7-22(8-6-18)17(23)15-4-9-24-12-15/h2-4,9-10,12,20H,5-8,11,13H2,1H3.
What are the key properties of [4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(furan-3-yl)methanone?
[4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(furan-3-yl)methanone has a molecular weight of 331.39 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(furan-3-yl)methanone is sourced from PubChem (CID 42606461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).