N-[1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]piperidin-4-yl]-5-methylfuran-2-carboxamide

C20H31N3O3 — CID 49447098

IUPACN-[1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]piperidin-4-yl]-5-methylfuran-2-carboxamide
SMILESCc1ccc(C(=O)NC2CCN(CC(=O)N3C(C)CCCC3C)CC2)o1
InChIInChI=1S/C20H31N3O3/c1-14-5-4-6-15(2)23(14)19(24)13-22-11-9-17(10-12-22)21-20(25)18-8-7-16(3)26-18/h7-8,14-15,17H,4-6,9-13H2,1-3H3,(H,21,25)
InChIKeyICBKQQAMBJIRPM-UHFFFAOYSA-N
MW361.49 g/mol
LogP2.57
Rot. Bonds4

About N-[1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]piperidin-4-yl]-5-methylfuran-2-carboxamide

N-[1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]piperidin-4-yl]-5-methylfuran-2-carboxamide (PubChem CID 49447098) has the molecular formula C20H31N3O3 and a molecular weight of 361.49 g/mol. Its IUPAC name is N-[1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]piperidin-4-yl]-5-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]piperidin-4-yl]-5-methylfuran-2-carboxamide
PubChem CID49447098
Molecular FormulaC20H31N3O3
Molecular Weight361.49 g/mol
Exact Mass361.24
IUPAC NameN-[1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]piperidin-4-yl]-5-methylfuran-2-carboxamide
SMILESCc1ccc(C(=O)NC2CCN(CC(=O)N3C(C)CCCC3C)CC2)o1
InChIInChI=1S/C20H31N3O3/c1-14-5-4-6-15(2)23(14)19(24)13-22-11-9-17(10-12-22)21-20(25)18-8-7-16(3)26-18/h7-8,14-15,17H,4-6,9-13H2,1-3H3,(H,21,25)
InChIKeyICBKQQAMBJIRPM-UHFFFAOYSA-N
XLogP2.57
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]piperidin-4-yl]-5-methylfuran-2-carboxamide with MolForge

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Related Compounds

5-methyl-N-[1-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]piperidin-4-yl]furan-2-carboxamide
CID 49447313
5-methyl-N-[1-[2-(N-methylanilino)-2-oxoethyl]piperidin-4-yl]furan-2-carboxamide
CID 49447477
5-methyl-N-(1-methylsulfonylpiperidin-4-yl)furan-2-carboxamide
CID 47157349
N-cyclopropyl-1-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]piperidine-4-carboxamide
CID 94632422
N-[1-[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl]piperidin-4-yl]-5-methylfuran-2-carboxamide
CID 49447524
N-[1-[2-(4-chlorophenoxy)ethyl]piperidin-4-yl]-5-methylfuran-2-carboxamide
CID 49447371
5-methyl-N-piperidin-3-ylfuran-2-carboxamide
CID 43603726
N-[1-[2-[benzyl(methyl)amino]acetyl]piperidin-4-yl]-5-methylfuran-2-carboxamide
CID 49411897
N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-5-methylfuran-2-carboxamide
CID 51969450
2-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethanone
CID 95303806
N-[[(2S)-1,4-dimethylpiperazin-2-yl]methyl]-4-[(5-methylfuran-2-carbonyl)amino]piperidine-1-carboxamide
CID 97315817
N-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]-4-[(5-methylfuran-2-carbonyl)amino]piperidine-1-carboxamide
CID 75464077

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]piperidin-4-yl]-5-methylfuran-2-carboxamide?
The IUPAC name of N-[1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]piperidin-4-yl]-5-methylfuran-2-carboxamide (CID 49447098) is N-[1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]piperidin-4-yl]-5-methylfuran-2-carboxamide.
What is the SMILES notation for N-[1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]piperidin-4-yl]-5-methylfuran-2-carboxamide?
The canonical SMILES for N-[1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]piperidin-4-yl]-5-methylfuran-2-carboxamide is Cc1ccc(C(=O)NC2CCN(CC(=O)N3C(C)CCCC3C)CC2)o1.
What is the InChIKey of N-[1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]piperidin-4-yl]-5-methylfuran-2-carboxamide?
The InChIKey is ICBKQQAMBJIRPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O3/c1-14-5-4-6-15(2)23(14)19(24)13-22-11-9-17(10-12-22)21-20(25)18-8-7-16(3)26-18/h7-8,14-15,17H,4-6,9-13H2,1-3H3,(H,21,25).
What are the key properties of N-[1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]piperidin-4-yl]-5-methylfuran-2-carboxamide?
N-[1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]piperidin-4-yl]-5-methylfuran-2-carboxamide has a molecular weight of 361.49 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]piperidin-4-yl]-5-methylfuran-2-carboxamide is sourced from PubChem (CID 49447098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).