2-methyl-N-[2-[(3R)-1-methylpiperidin-3-yl]ethyl]-5-propan-2-ylfuran-3-carboxamide

C17H28N2O2 — CID 95229686

IUPAC2-methyl-N-[2-[(3R)-1-methylpiperidin-3-yl]ethyl]-5-propan-2-ylfuran-3-carboxamide
SMILESCc1oc(C(C)C)cc1C(=O)NCC[C@H]1CCCN(C)C1
InChIInChI=1S/C17H28N2O2/c1-12(2)16-10-15(13(3)21-16)17(20)18-8-7-14-6-5-9-19(4)11-14/h10,12,14H,5-9,11H2,1-4H3,(H,18,20)/t14-/m1/s1
InChIKeyYJNISMJFKCUEPC-CQSZACIVSA-N
MW292.42 g/mol
LogP3.17
Rot. Bonds5

About 2-methyl-N-[2-[(3R)-1-methylpiperidin-3-yl]ethyl]-5-propan-2-ylfuran-3-carboxamide

2-methyl-N-[2-[(3R)-1-methylpiperidin-3-yl]ethyl]-5-propan-2-ylfuran-3-carboxamide (PubChem CID 95229686) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 2-methyl-N-[2-[(3R)-1-methylpiperidin-3-yl]ethyl]-5-propan-2-ylfuran-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[2-[(3R)-1-methylpiperidin-3-yl]ethyl]-5-propan-2-ylfuran-3-carboxamide
PubChem CID95229686
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name2-methyl-N-[2-[(3R)-1-methylpiperidin-3-yl]ethyl]-5-propan-2-ylfuran-3-carboxamide
SMILESCc1oc(C(C)C)cc1C(=O)NCC[C@H]1CCCN(C)C1
InChIInChI=1S/C17H28N2O2/c1-12(2)16-10-15(13(3)21-16)17(20)18-8-7-14-6-5-9-19(4)11-14/h10,12,14H,5-9,11H2,1-4H3,(H,18,20)/t14-/m1/s1
InChIKeyYJNISMJFKCUEPC-CQSZACIVSA-N
XLogP3.17
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-[2-(1-methylpiperidin-3-yl)ethyl]-2-propan-2-ylpyrimidine-5-carboxamide
CID 56722819
4-chloro-2-methoxy-N-[2-(1-methylpiperidin-3-yl)ethyl]benzamide
CID 56716852
2-(1-methylimidazol-2-yl)-N-[2-(1-methylpiperidin-3-yl)ethyl]benzamide
CID 56723308
1,6-dimethyl-N-[2-[(3S)-1-methylpiperidin-3-yl]ethyl]-4-oxoquinoline-3-carboxamide
CID 95222672
1,6-dimethyl-N-[2-[(3R)-1-methylpiperidin-3-yl]ethyl]-4-oxoquinoline-3-carboxamide
CID 95222673
2-(1-methylpiperidin-3-yl)ethylurea
CID 115168583
N-[2-(1-methylpiperidin-3-yl)ethyl]-2-propan-2-ylsulfanylacetamide
CID 56714335
N-[2-[(3S)-1-methylpiperidin-3-yl]ethyl]-2-propan-2-ylsulfanylacetamide
CID 95207648
5-ethyl-4-methyl-N-[2-(1-methylpiperidin-3-yl)ethyl]-1H-pyrazole-3-carboxamide
CID 56716648
N-[2-[(3S)-1-methylpiperidin-3-yl]ethyl]isoquinoline-3-carboxamide
CID 95194154
N-(3-cyclohexylpropyl)-2,5-dimethylfuran-3-carboxamide
CID 78866046
ethyl 2-[2-(1-methylpiperidin-3-yl)ethylamino]-2-oxoacetate
CID 115142076

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[(3R)-1-methylpiperidin-3-yl]ethyl]-5-propan-2-ylfuran-3-carboxamide?
The IUPAC name of 2-methyl-N-[2-[(3R)-1-methylpiperidin-3-yl]ethyl]-5-propan-2-ylfuran-3-carboxamide (CID 95229686) is 2-methyl-N-[2-[(3R)-1-methylpiperidin-3-yl]ethyl]-5-propan-2-ylfuran-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[2-[(3R)-1-methylpiperidin-3-yl]ethyl]-5-propan-2-ylfuran-3-carboxamide?
The canonical SMILES for 2-methyl-N-[2-[(3R)-1-methylpiperidin-3-yl]ethyl]-5-propan-2-ylfuran-3-carboxamide is Cc1oc(C(C)C)cc1C(=O)NCC[C@H]1CCCN(C)C1.
What is the InChIKey of 2-methyl-N-[2-[(3R)-1-methylpiperidin-3-yl]ethyl]-5-propan-2-ylfuran-3-carboxamide?
The InChIKey is YJNISMJFKCUEPC-CQSZACIVSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-12(2)16-10-15(13(3)21-16)17(20)18-8-7-14-6-5-9-19(4)11-14/h10,12,14H,5-9,11H2,1-4H3,(H,18,20)/t14-/m1/s1.
What are the key properties of 2-methyl-N-[2-[(3R)-1-methylpiperidin-3-yl]ethyl]-5-propan-2-ylfuran-3-carboxamide?
2-methyl-N-[2-[(3R)-1-methylpiperidin-3-yl]ethyl]-5-propan-2-ylfuran-3-carboxamide has a molecular weight of 292.42 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[(3R)-1-methylpiperidin-3-yl]ethyl]-5-propan-2-ylfuran-3-carboxamide is sourced from PubChem (CID 95229686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).