4-[1-[1-(furan-2-ylmethyl)piperidin-4-yl]piperidin-4-yl]-1-methylpyridin-2-one

C21H29N3O2 — CID 138380022

IUPAC4-[1-[1-(furan-2-ylmethyl)piperidin-4-yl]piperidin-4-yl]-1-methylpyridin-2-one
SMILESCn1ccc(C2CCN(C3CCN(Cc4ccco4)CC3)CC2)cc1=O
InChIInChI=1S/C21H29N3O2/c1-22-9-4-18(15-21(22)25)17-5-12-24(13-6-17)19-7-10-23(11-8-19)16-20-3-2-14-26-20/h2-4,9,14-15,17,19H,5-8,10-13,16H2,1H3
InChIKeyOKDJZOBEHMRPNJ-UHFFFAOYSA-N
MW355.48 g/mol
LogP2.82
Rot. Bonds4

About 4-[1-[1-(furan-2-ylmethyl)piperidin-4-yl]piperidin-4-yl]-1-methylpyridin-2-one

4-[1-[1-(furan-2-ylmethyl)piperidin-4-yl]piperidin-4-yl]-1-methylpyridin-2-one (PubChem CID 138380022) has the molecular formula C21H29N3O2 and a molecular weight of 355.48 g/mol. Its IUPAC name is 4-[1-[1-(furan-2-ylmethyl)piperidin-4-yl]piperidin-4-yl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name4-[1-[1-(furan-2-ylmethyl)piperidin-4-yl]piperidin-4-yl]-1-methylpyridin-2-one
PubChem CID138380022
Molecular FormulaC21H29N3O2
Molecular Weight355.48 g/mol
Exact Mass355.23
IUPAC Name4-[1-[1-(furan-2-ylmethyl)piperidin-4-yl]piperidin-4-yl]-1-methylpyridin-2-one
SMILESCn1ccc(C2CCN(C3CCN(Cc4ccco4)CC3)CC2)cc1=O
InChIInChI=1S/C21H29N3O2/c1-22-9-4-18(15-21(22)25)17-5-12-24(13-6-17)19-7-10-23(11-8-19)16-20-3-2-14-26-20/h2-4,9,14-15,17,19H,5-8,10-13,16H2,1H3
InChIKeyOKDJZOBEHMRPNJ-UHFFFAOYSA-N
XLogP2.82
TPSA41.62 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(furan-2-ylmethyl)-4-(3-methoxypyrrolidin-1-yl)piperidine
CID 131919672
1-methyl-4-[1-[(2,3,6-trifluorophenyl)methyl]piperidin-4-yl]pyridin-2-one
CID 138386123
4-[1-(1,3-benzothiazol-2-ylmethyl)piperidin-4-yl]-1-methylpyridin-2-one
CID 138381620
1-(furan-2-ylmethyl)-N,N-dimethylpiperidin-4-amine
CID 91664788
[4-(furan-2-ylmethyl)piperazin-1-yl]-[1-(oxan-4-yl)piperidin-4-yl]methanone
CID 74248102
4-[1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-4-yl]-1-methylpyridin-2-one
CID 138385563
1-(furan-2-ylmethyl)-N-methylpiperidin-4-amine;hydrochloride
CID 86253291
1-methyl-4-piperidin-4-ylpyridin-2-one
CID 59627486
(3S,4S)-1-[1-(furan-2-ylmethyl)piperidin-4-yl]-4-propylpyrrolidine-3-carboxylic acid
CID 70736683
1-(furan-2-ylmethyl)-4-methylpiperazine;methanamine
CID 162740974
4-[(3R)-1-(furan-2-ylmethyl)pyrrolidin-3-yl]-2-(2-methylphenyl)pyridine
CID 95127720
2-[3-[1-[1-(furan-2-ylmethyl)piperidin-4-yl]piperidin-3-yl]pyrazol-1-yl]acetic acid
CID 119064256

Frequently Asked Questions

What is the IUPAC name of 4-[1-[1-(furan-2-ylmethyl)piperidin-4-yl]piperidin-4-yl]-1-methylpyridin-2-one?
The IUPAC name of 4-[1-[1-(furan-2-ylmethyl)piperidin-4-yl]piperidin-4-yl]-1-methylpyridin-2-one (CID 138380022) is 4-[1-[1-(furan-2-ylmethyl)piperidin-4-yl]piperidin-4-yl]-1-methylpyridin-2-one.
What is the SMILES notation for 4-[1-[1-(furan-2-ylmethyl)piperidin-4-yl]piperidin-4-yl]-1-methylpyridin-2-one?
The canonical SMILES for 4-[1-[1-(furan-2-ylmethyl)piperidin-4-yl]piperidin-4-yl]-1-methylpyridin-2-one is Cn1ccc(C2CCN(C3CCN(Cc4ccco4)CC3)CC2)cc1=O.
What is the InChIKey of 4-[1-[1-(furan-2-ylmethyl)piperidin-4-yl]piperidin-4-yl]-1-methylpyridin-2-one?
The InChIKey is OKDJZOBEHMRPNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O2/c1-22-9-4-18(15-21(22)25)17-5-12-24(13-6-17)19-7-10-23(11-8-19)16-20-3-2-14-26-20/h2-4,9,14-15,17,19H,5-8,10-13,16H2,1H3.
What are the key properties of 4-[1-[1-(furan-2-ylmethyl)piperidin-4-yl]piperidin-4-yl]-1-methylpyridin-2-one?
4-[1-[1-(furan-2-ylmethyl)piperidin-4-yl]piperidin-4-yl]-1-methylpyridin-2-one has a molecular weight of 355.48 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[1-(furan-2-ylmethyl)piperidin-4-yl]piperidin-4-yl]-1-methylpyridin-2-one is sourced from PubChem (CID 138380022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).