N-(furan-2-ylmethyl)-N-methyl-2-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]acetamide

C17H24N4O2 — CID 96514191

IUPACN-(furan-2-ylmethyl)-N-methyl-2-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]acetamide
SMILESCc1cc([C@@H]2CCCN(CC(=O)N(C)Cc3ccco3)C2)n[nH]1
InChIInChI=1S/C17H24N4O2/c1-13-9-16(19-18-13)14-5-3-7-21(10-14)12-17(22)20(2)11-15-6-4-8-23-15/h4,6,8-9,14H,3,5,7,10-12H2,1-2H3,(H,18,19)/t14-/m1/s1
InChIKeyLKDCOWRDXLXOCD-CQSZACIVSA-N
MW316.40 g/mol
LogP2.15
Rot. Bonds5

About N-(furan-2-ylmethyl)-N-methyl-2-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]acetamide

N-(furan-2-ylmethyl)-N-methyl-2-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]acetamide (PubChem CID 96514191) has the molecular formula C17H24N4O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-methyl-2-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-methyl-2-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]acetamide
PubChem CID96514191
Molecular FormulaC17H24N4O2
Molecular Weight316.40 g/mol
Exact Mass316.19
IUPAC NameN-(furan-2-ylmethyl)-N-methyl-2-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]acetamide
SMILESCc1cc([C@@H]2CCCN(CC(=O)N(C)Cc3ccco3)C2)n[nH]1
InChIInChI=1S/C17H24N4O2/c1-13-9-16(19-18-13)14-5-3-7-21(10-14)12-17(22)20(2)11-15-6-4-8-23-15/h4,6,8-9,14H,3,5,7,10-12H2,1-2H3,(H,18,19)/t14-/m1/s1
InChIKeyLKDCOWRDXLXOCD-CQSZACIVSA-N
XLogP2.15
TPSA65.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(furan-2-ylmethyl)-N-methyl-2-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]acetamide
CID 95760400
N-(furan-2-ylmethyl)-2-(3-hydroxypiperidin-1-yl)-N-methylacetamide
CID 60642561
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]acetamide
CID 97004471
2-[(3R)-3-aminopiperidin-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide
CID 102984585
N-(furan-2-ylmethyl)-N-methyl-2-[(3S)-3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]piperidin-1-yl]acetamide
CID 95780908
2-(1,4-diazepan-1-yl)-N-(furan-2-ylmethyl)-N-methylacetamide
CID 43162522
N-(furan-2-ylmethyl)-N-methyl-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 78793293
2-(4-benzylpiperazin-1-yl)-N-(furan-2-ylmethyl)-N-methylacetamide
CID 78787266
2-[(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-N-(furan-2-ylmethyl)-N-methylacetamide
CID 97059650
N-(furan-2-ylmethyl)-2-(3-hydroxy-3-methylpiperidin-1-yl)-N-methylacetamide
CID 115873726
N-(5-methyl-1,2-oxazol-3-yl)-2-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]acetamide
CID 97004525
2-[benzyl(methyl)amino]-1-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethanone
CID 97069110

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-methyl-2-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-N-methyl-2-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]acetamide (CID 96514191) is N-(furan-2-ylmethyl)-N-methyl-2-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-methyl-2-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N-methyl-2-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]acetamide is Cc1cc([C@@H]2CCCN(CC(=O)N(C)Cc3ccco3)C2)n[nH]1.
What is the InChIKey of N-(furan-2-ylmethyl)-N-methyl-2-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]acetamide?
The InChIKey is LKDCOWRDXLXOCD-CQSZACIVSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-13-9-16(19-18-13)14-5-3-7-21(10-14)12-17(22)20(2)11-15-6-4-8-23-15/h4,6,8-9,14H,3,5,7,10-12H2,1-2H3,(H,18,19)/t14-/m1/s1.
What are the key properties of N-(furan-2-ylmethyl)-N-methyl-2-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]acetamide?
N-(furan-2-ylmethyl)-N-methyl-2-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]acetamide has a molecular weight of 316.40 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N-methyl-2-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]acetamide is sourced from PubChem (CID 96514191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).