[1-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]piperidin-3-yl]-phenylmethanone

C21H21N3O2 — CID 56917412

IUPAC[1-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]piperidin-3-yl]-phenylmethanone
SMILESO=C(c1ccccc1)C1CCCN(Cc2cnc(-c3ccco3)nc2)C1
InChIInChI=1S/C21H21N3O2/c25-20(17-6-2-1-3-7-17)18-8-4-10-24(15-18)14-16-12-22-21(23-13-16)19-9-5-11-26-19/h1-3,5-7,9,11-13,18H,4,8,10,14-15H2
InChIKeyQXJZUJXJFUVCSR-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.83
Rot. Bonds5

About [1-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]piperidin-3-yl]-phenylmethanone

[1-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]piperidin-3-yl]-phenylmethanone (PubChem CID 56917412) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is [1-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]piperidin-3-yl]-phenylmethanone.

Molecular Properties

Compound Name[1-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]piperidin-3-yl]-phenylmethanone
PubChem CID56917412
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC Name[1-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]piperidin-3-yl]-phenylmethanone
SMILESO=C(c1ccccc1)C1CCCN(Cc2cnc(-c3ccco3)nc2)C1
InChIInChI=1S/C21H21N3O2/c25-20(17-6-2-1-3-7-17)18-8-4-10-24(15-18)14-16-12-22-21(23-13-16)19-9-5-11-26-19/h1-3,5-7,9,11-13,18H,4,8,10,14-15H2
InChIKeyQXJZUJXJFUVCSR-UHFFFAOYSA-N
XLogP3.83
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[(3S)-1-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]pyrrolidin-3-yl]methyl]benzoic acid
CID 95727767
(1-benzylpiperidin-3-yl)-pyridin-4-ylmethanone
CID 142430235
phenyl-(1-propylpiperidin-3-yl)methanone
CID 91406553
(4-phenylphenyl)-[1-(pyridin-3-ylmethyl)piperidin-3-yl]methanone
CID 45178461
(3S)-N-[4-(furan-2-yl)phenyl]-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidine-3-carboxamide
CID 94909017
2-(furan-2-yl)-5-[[(3S)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]pyrimidine
CID 95725231
2-(furan-2-yl)-5-[(4-phenylmethoxypiperidin-1-yl)methyl]pyrimidine
CID 56915979
1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]piperidine-3-carboxylic acid
CID 43440721
[1-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]piperidin-3-yl]-(3-propan-2-yloxyphenyl)methanone
CID 45220380
(3R,4R)-1-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]-4-(pyrimidin-2-ylamino)piperidin-3-ol
CID 118766424
1-(2,3-dihydro-1H-inden-2-yl)-4-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]-1,4-diazepane
CID 70752557
(3-fluoro-4-phenylphenyl)-[1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-3-yl]methanone
CID 45248514

Frequently Asked Questions

What is the IUPAC name of [1-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]piperidin-3-yl]-phenylmethanone?
The IUPAC name of [1-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]piperidin-3-yl]-phenylmethanone (CID 56917412) is [1-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]piperidin-3-yl]-phenylmethanone.
What is the SMILES notation for [1-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]piperidin-3-yl]-phenylmethanone?
The canonical SMILES for [1-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]piperidin-3-yl]-phenylmethanone is O=C(c1ccccc1)C1CCCN(Cc2cnc(-c3ccco3)nc2)C1.
What is the InChIKey of [1-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]piperidin-3-yl]-phenylmethanone?
The InChIKey is QXJZUJXJFUVCSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c25-20(17-6-2-1-3-7-17)18-8-4-10-24(15-18)14-16-12-22-21(23-13-16)19-9-5-11-26-19/h1-3,5-7,9,11-13,18H,4,8,10,14-15H2.
What are the key properties of [1-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]piperidin-3-yl]-phenylmethanone?
[1-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]piperidin-3-yl]-phenylmethanone has a molecular weight of 347.42 g/mol, XLogP of 3.83, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]piperidin-3-yl]-phenylmethanone is sourced from PubChem (CID 56917412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).