3-(4-benzylpiperidine-1-carbonyl)-2-methyl-5-propylfuro[3,2-c]pyridin-4-one

C24H28N2O3 — CID 71838340

IUPAC3-(4-benzylpiperidine-1-carbonyl)-2-methyl-5-propylfuro[3,2-c]pyridin-4-one
SMILESCCCn1ccc2oc(C)c(C(=O)N3CCC(Cc4ccccc4)CC3)c2c1=O
InChIInChI=1S/C24H28N2O3/c1-3-12-25-15-11-20-22(24(25)28)21(17(2)29-20)23(27)26-13-9-19(10-14-26)16-18-7-5-4-6-8-18/h4-8,11,15,19H,3,9-10,12-14,16H2,1-2H3
InChIKeyQAYDGIBTWOSWKF-UHFFFAOYSA-N
MW392.50 g/mol
LogP4.41
Rot. Bonds5

About 3-(4-benzylpiperidine-1-carbonyl)-2-methyl-5-propylfuro[3,2-c]pyridin-4-one

3-(4-benzylpiperidine-1-carbonyl)-2-methyl-5-propylfuro[3,2-c]pyridin-4-one (PubChem CID 71838340) has the molecular formula C24H28N2O3 and a molecular weight of 392.50 g/mol. Its IUPAC name is 3-(4-benzylpiperidine-1-carbonyl)-2-methyl-5-propylfuro[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name3-(4-benzylpiperidine-1-carbonyl)-2-methyl-5-propylfuro[3,2-c]pyridin-4-one
PubChem CID71838340
Molecular FormulaC24H28N2O3
Molecular Weight392.50 g/mol
Exact Mass392.21
IUPAC Name3-(4-benzylpiperidine-1-carbonyl)-2-methyl-5-propylfuro[3,2-c]pyridin-4-one
SMILESCCCn1ccc2oc(C)c(C(=O)N3CCC(Cc4ccccc4)CC3)c2c1=O
InChIInChI=1S/C24H28N2O3/c1-3-12-25-15-11-20-22(24(25)28)21(17(2)29-20)23(27)26-13-9-19(10-14-26)16-18-7-5-4-6-8-18/h4-8,11,15,19H,3,9-10,12-14,16H2,1-2H3
InChIKeyQAYDGIBTWOSWKF-UHFFFAOYSA-N
XLogP4.41
TPSA55.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-2-methyl-3-(4-piperidin-1-ylpiperidine-1-carbonyl)furo[3,2-c]pyridin-4-one
CID 53167318
(4-benzylpiperidin-1-yl)-(2-methyl-4-propan-2-yl-1,3-oxazol-5-yl)methanone
CID 110684703
(4-benzylpiperidin-1-yl)-phenylmethanone
CID 796596
ethyl 4-benzylpiperidine-1-carboxylate
CID 3561633
(4-benzylpiperidin-1-yl)-(2,3,5,6-tetrafluoro-4-hydroxyphenyl)methanone;ethane;sulfane
CID 159975613
3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-5-(4-fluorophenyl)-1,3-oxazol-2-one
CID 53180493
(4-benzylpiperidin-1-yl)-(1,5-dimethylpyrazol-3-yl)methanone
CID 110685777
N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]propane-1-sulfonamide
CID 112995483
1-(4-benzylpiperidin-1-yl)-2-bromobutan-1-one
CID 25219771
N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]ethanesulfonamide
CID 112995482
6-(4-benzylpiperidine-1-carbonyl)-3,5-dimethylthieno[2,3-d]pyrimidin-4-one
CID 23825059
ethyl N-[(2S)-1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]carbamate
CID 110348071

Frequently Asked Questions

What is the IUPAC name of 3-(4-benzylpiperidine-1-carbonyl)-2-methyl-5-propylfuro[3,2-c]pyridin-4-one?
The IUPAC name of 3-(4-benzylpiperidine-1-carbonyl)-2-methyl-5-propylfuro[3,2-c]pyridin-4-one (CID 71838340) is 3-(4-benzylpiperidine-1-carbonyl)-2-methyl-5-propylfuro[3,2-c]pyridin-4-one.
What is the SMILES notation for 3-(4-benzylpiperidine-1-carbonyl)-2-methyl-5-propylfuro[3,2-c]pyridin-4-one?
The canonical SMILES for 3-(4-benzylpiperidine-1-carbonyl)-2-methyl-5-propylfuro[3,2-c]pyridin-4-one is CCCn1ccc2oc(C)c(C(=O)N3CCC(Cc4ccccc4)CC3)c2c1=O.
What is the InChIKey of 3-(4-benzylpiperidine-1-carbonyl)-2-methyl-5-propylfuro[3,2-c]pyridin-4-one?
The InChIKey is QAYDGIBTWOSWKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O3/c1-3-12-25-15-11-20-22(24(25)28)21(17(2)29-20)23(27)26-13-9-19(10-14-26)16-18-7-5-4-6-8-18/h4-8,11,15,19H,3,9-10,12-14,16H2,1-2H3.
What are the key properties of 3-(4-benzylpiperidine-1-carbonyl)-2-methyl-5-propylfuro[3,2-c]pyridin-4-one?
3-(4-benzylpiperidine-1-carbonyl)-2-methyl-5-propylfuro[3,2-c]pyridin-4-one has a molecular weight of 392.50 g/mol, XLogP of 4.41, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-benzylpiperidine-1-carbonyl)-2-methyl-5-propylfuro[3,2-c]pyridin-4-one is sourced from PubChem (CID 71838340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).