1-(furan-2-ylmethyl)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]piperidine-3-carboxamide

C20H27N3O3 — CID 72899598

IUPAC1-(furan-2-ylmethyl)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]piperidine-3-carboxamide
SMILESCOc1nc(C)cc(C)c1CNC(=O)C1CCCN(Cc2ccco2)C1
InChIInChI=1S/C20H27N3O3/c1-14-10-15(2)22-20(25-3)18(14)11-21-19(24)16-6-4-8-23(12-16)13-17-7-5-9-26-17/h5,7,9-10,16H,4,6,8,11-13H2,1-3H3,(H,21,24)
InChIKeySRNRUVNUNNLLNY-UHFFFAOYSA-N
MW357.45 g/mol
LogP2.83
Rot. Bonds6

About 1-(furan-2-ylmethyl)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]piperidine-3-carboxamide

1-(furan-2-ylmethyl)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]piperidine-3-carboxamide (PubChem CID 72899598) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]piperidine-3-carboxamide
PubChem CID72899598
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC Name1-(furan-2-ylmethyl)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]piperidine-3-carboxamide
SMILESCOc1nc(C)cc(C)c1CNC(=O)C1CCCN(Cc2ccco2)C1
InChIInChI=1S/C20H27N3O3/c1-14-10-15(2)22-20(25-3)18(14)11-21-19(24)16-6-4-8-23(12-16)13-17-7-5-9-26-17/h5,7,9-10,16H,4,6,8,11-13H2,1-3H3,(H,21,24)
InChIKeySRNRUVNUNNLLNY-UHFFFAOYSA-N
XLogP2.83
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(furan-2-ylmethyl)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]piperidine-3-carboxamide with MolForge

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Related Compounds

(3R)-1-(furan-2-ylmethyl)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]piperidine-3-carboxamide
CID 97279288
(3S)-N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-1-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 97283477
1-(furan-2-ylmethyl)-N-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)piperidine-3-carboxamide
CID 157016422
(3R)-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-1-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 97284250
1-benzyl-N-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 43921227
(3R)-N-[(5-chlorothiophen-2-yl)methyl]-1-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 97210781
N-(2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-1-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 157019045
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-1-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 72918182
N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-1-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 56744582
(3R)-1-(furan-2-ylmethyl)-N-[(1-propylimidazol-2-yl)methyl]piperidine-3-carboxamide
CID 125437302
(3S)-N-[2-(5-chloro-4-methyl-1,3-thiazol-2-yl)ethyl]-1-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 97282796
1-(furan-2-ylmethyl)-N-[(3-pyrazol-1-ylphenyl)methyl]piperidine-3-carboxamide
CID 72886430

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]piperidine-3-carboxamide?
The IUPAC name of 1-(furan-2-ylmethyl)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]piperidine-3-carboxamide (CID 72899598) is 1-(furan-2-ylmethyl)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(furan-2-ylmethyl)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(furan-2-ylmethyl)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]piperidine-3-carboxamide is COc1nc(C)cc(C)c1CNC(=O)C1CCCN(Cc2ccco2)C1.
What is the InChIKey of 1-(furan-2-ylmethyl)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]piperidine-3-carboxamide?
The InChIKey is SRNRUVNUNNLLNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-14-10-15(2)22-20(25-3)18(14)11-21-19(24)16-6-4-8-23(12-16)13-17-7-5-9-26-17/h5,7,9-10,16H,4,6,8,11-13H2,1-3H3,(H,21,24).
What are the key properties of 1-(furan-2-ylmethyl)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]piperidine-3-carboxamide?
1-(furan-2-ylmethyl)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]piperidine-3-carboxamide has a molecular weight of 357.45 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 72899598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).