5-methyl-N-[1-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]piperidin-4-yl]furan-2-carboxamide

C20H31N3O3 — CID 49447313

IUPAC5-methyl-N-[1-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]piperidin-4-yl]furan-2-carboxamide
SMILESCc1ccc(C(=O)NC2CCN(CC(=O)NC3CCCCC3C)CC2)o1
InChIInChI=1S/C20H31N3O3/c1-14-5-3-4-6-17(14)22-19(24)13-23-11-9-16(10-12-23)21-20(25)18-8-7-15(2)26-18/h7-8,14,16-17H,3-6,9-13H2,1-2H3,(H,21,25)(H,22,24)
InChIKeyUDQGWSCRIKPSJQ-UHFFFAOYSA-N
MW361.49 g/mol
LogP2.48
Rot. Bonds5

About 5-methyl-N-[1-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]piperidin-4-yl]furan-2-carboxamide

5-methyl-N-[1-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]piperidin-4-yl]furan-2-carboxamide (PubChem CID 49447313) has the molecular formula C20H31N3O3 and a molecular weight of 361.49 g/mol. Its IUPAC name is 5-methyl-N-[1-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]piperidin-4-yl]furan-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[1-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]piperidin-4-yl]furan-2-carboxamide
PubChem CID49447313
Molecular FormulaC20H31N3O3
Molecular Weight361.49 g/mol
Exact Mass361.24
IUPAC Name5-methyl-N-[1-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]piperidin-4-yl]furan-2-carboxamide
SMILESCc1ccc(C(=O)NC2CCN(CC(=O)NC3CCCCC3C)CC2)o1
InChIInChI=1S/C20H31N3O3/c1-14-5-3-4-6-17(14)22-19(24)13-23-11-9-16(10-12-23)21-20(25)18-8-7-15(2)26-18/h7-8,14,16-17H,3-6,9-13H2,1-2H3,(H,21,25)(H,22,24)
InChIKeyUDQGWSCRIKPSJQ-UHFFFAOYSA-N
XLogP2.48
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-methyl-N-[1-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]piperidin-4-yl]furan-2-carboxamide with MolForge

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Related Compounds

N-[1-[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]piperidin-4-yl]-2-phenylacetamide
CID 7411819
N-[1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]piperidin-4-yl]-5-methylfuran-2-carboxamide
CID 49447098
2-[4-(methylamino)piperidin-1-yl]-N-(2-methylcyclohexyl)acetamide
CID 119923766
5-methyl-N-[1-[2-(N-methylanilino)-2-oxoethyl]piperidin-4-yl]furan-2-carboxamide
CID 49447477
3,4,5-trimethoxy-N-[1-[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]piperidin-4-yl]benzamide
CID 25415149
2-(4-benzylpiperazin-1-yl)-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 8902763
2-[4-[(4-ethoxyphenyl)carbamoylamino]piperidin-1-yl]-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 7411802
N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-5-methylfuran-2-carboxamide
CID 51969450
2-[4-(4-hydroxyphenyl)piperidin-1-yl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide
CID 94595136
N-[(1R,2S)-2-methylcyclohexyl]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 8743015
N-[(1R,2S)-2-methylcyclohexyl]-2-(4-methylpiperazin-1-yl)acetamide
CID 1439119
5-methyl-N-(1-methylsulfonylpiperidin-4-yl)furan-2-carboxamide
CID 47157349

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[1-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]piperidin-4-yl]furan-2-carboxamide?
The IUPAC name of 5-methyl-N-[1-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]piperidin-4-yl]furan-2-carboxamide (CID 49447313) is 5-methyl-N-[1-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]piperidin-4-yl]furan-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[1-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]piperidin-4-yl]furan-2-carboxamide?
The canonical SMILES for 5-methyl-N-[1-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]piperidin-4-yl]furan-2-carboxamide is Cc1ccc(C(=O)NC2CCN(CC(=O)NC3CCCCC3C)CC2)o1.
What is the InChIKey of 5-methyl-N-[1-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]piperidin-4-yl]furan-2-carboxamide?
The InChIKey is UDQGWSCRIKPSJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O3/c1-14-5-3-4-6-17(14)22-19(24)13-23-11-9-16(10-12-23)21-20(25)18-8-7-15(2)26-18/h7-8,14,16-17H,3-6,9-13H2,1-2H3,(H,21,25)(H,22,24).
What are the key properties of 5-methyl-N-[1-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]piperidin-4-yl]furan-2-carboxamide?
5-methyl-N-[1-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]piperidin-4-yl]furan-2-carboxamide has a molecular weight of 361.49 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[1-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]piperidin-4-yl]furan-2-carboxamide is sourced from PubChem (CID 49447313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).