N-[(1R)-1-(furan-2-yl)ethyl]-2-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]acetamide

C18H26N4O2 — CID 98761689

IUPACN-[(1R)-1-(furan-2-yl)ethyl]-2-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]acetamide
SMILESCc1cnn(C[C@H]2CCCCN2CC(=O)N[C@H](C)c2ccco2)c1
InChIInChI=1S/C18H26N4O2/c1-14-10-19-22(11-14)12-16-6-3-4-8-21(16)13-18(23)20-15(2)17-7-5-9-24-17/h5,7,9-11,15-16H,3-4,6,8,12-13H2,1-2H3,(H,20,23)/t15-,16-/m1/s1
InChIKeyQGLPAAOQLMEMDO-HZPDHXFCSA-N
MW330.43 g/mol
LogP2.52
Rot. Bonds6

About N-[(1R)-1-(furan-2-yl)ethyl]-2-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]acetamide

N-[(1R)-1-(furan-2-yl)ethyl]-2-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]acetamide (PubChem CID 98761689) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is N-[(1R)-1-(furan-2-yl)ethyl]-2-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(1R)-1-(furan-2-yl)ethyl]-2-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]acetamide
PubChem CID98761689
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC NameN-[(1R)-1-(furan-2-yl)ethyl]-2-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]acetamide
SMILESCc1cnn(C[C@H]2CCCCN2CC(=O)N[C@H](C)c2ccco2)c1
InChIInChI=1S/C18H26N4O2/c1-14-10-19-22(11-14)12-16-6-3-4-8-21(16)13-18(23)20-15(2)17-7-5-9-24-17/h5,7,9-11,15-16H,3-4,6,8,12-13H2,1-2H3,(H,20,23)/t15-,16-/m1/s1
InChIKeyQGLPAAOQLMEMDO-HZPDHXFCSA-N
XLogP2.52
TPSA63.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-N-pyridin-3-ylacetamide
CID 95609283
2-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 56780375
N-[(1S)-1-(furan-2-yl)ethyl]-2-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]acetamide
CID 95288889
2-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 95354502
1-[(4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-2-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]ethanone
CID 95353468
1-[(4aR,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-2-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]ethanone
CID 129448722
(2S)-1-(furan-2-ylmethoxy)-3-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]propan-2-ol
CID 95610423
N-[1-(furan-2-yl)ethyl]-2-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 86892938
2-(4-aminopiperidin-1-yl)-N-[1-(furan-2-yl)ethyl]acetamide
CID 43556867
2-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-N-[(1R)-1-thiophen-2-ylethyl]acetamide
CID 95609320
2-[(2R)-2-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]azepan-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 97078667
N-[(1R)-1-(furan-2-yl)ethyl]-2-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide
CID 95309263

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(furan-2-yl)ethyl]-2-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]acetamide?
The IUPAC name of N-[(1R)-1-(furan-2-yl)ethyl]-2-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]acetamide (CID 98761689) is N-[(1R)-1-(furan-2-yl)ethyl]-2-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]acetamide.
What is the SMILES notation for N-[(1R)-1-(furan-2-yl)ethyl]-2-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]acetamide?
The canonical SMILES for N-[(1R)-1-(furan-2-yl)ethyl]-2-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]acetamide is Cc1cnn(C[C@H]2CCCCN2CC(=O)N[C@H](C)c2ccco2)c1.
What is the InChIKey of N-[(1R)-1-(furan-2-yl)ethyl]-2-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]acetamide?
The InChIKey is QGLPAAOQLMEMDO-HZPDHXFCSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-14-10-19-22(11-14)12-16-6-3-4-8-21(16)13-18(23)20-15(2)17-7-5-9-24-17/h5,7,9-11,15-16H,3-4,6,8,12-13H2,1-2H3,(H,20,23)/t15-,16-/m1/s1.
What are the key properties of N-[(1R)-1-(furan-2-yl)ethyl]-2-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]acetamide?
N-[(1R)-1-(furan-2-yl)ethyl]-2-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]acetamide has a molecular weight of 330.43 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(furan-2-yl)ethyl]-2-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]acetamide is sourced from PubChem (CID 98761689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).