N-[[1-[(1,4-dimethylpyrazol-3-yl)methyl]piperidin-3-yl]methyl]furan-2-carboxamide

C17H24N4O2 — CID 166256117

IUPACN-[[1-[(1,4-dimethylpyrazol-3-yl)methyl]piperidin-3-yl]methyl]furan-2-carboxamide
SMILESCc1cn(C)nc1CN1CCCC(CNC(=O)c2ccco2)C1
InChIInChI=1S/C17H24N4O2/c1-13-10-20(2)19-15(13)12-21-7-3-5-14(11-21)9-18-17(22)16-6-4-8-23-16/h4,6,8,10,14H,3,5,7,9,11-12H2,1-2H3,(H,18,22)
InChIKeyKDVDZAQDFPBWKQ-UHFFFAOYSA-N
MW316.40 g/mol
LogP1.96
Rot. Bonds5

About N-[[1-[(1,4-dimethylpyrazol-3-yl)methyl]piperidin-3-yl]methyl]furan-2-carboxamide

N-[[1-[(1,4-dimethylpyrazol-3-yl)methyl]piperidin-3-yl]methyl]furan-2-carboxamide (PubChem CID 166256117) has the molecular formula C17H24N4O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is N-[[1-[(1,4-dimethylpyrazol-3-yl)methyl]piperidin-3-yl]methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[[1-[(1,4-dimethylpyrazol-3-yl)methyl]piperidin-3-yl]methyl]furan-2-carboxamide
PubChem CID166256117
Molecular FormulaC17H24N4O2
Molecular Weight316.40 g/mol
Exact Mass316.19
IUPAC NameN-[[1-[(1,4-dimethylpyrazol-3-yl)methyl]piperidin-3-yl]methyl]furan-2-carboxamide
SMILESCc1cn(C)nc1CN1CCCC(CNC(=O)c2ccco2)C1
InChIInChI=1S/C17H24N4O2/c1-13-10-20(2)19-15(13)12-21-7-3-5-14(11-21)9-18-17(22)16-6-4-8-23-16/h4,6,8,10,14H,3,5,7,9,11-12H2,1-2H3,(H,18,22)
InChIKeyKDVDZAQDFPBWKQ-UHFFFAOYSA-N
XLogP1.96
TPSA63.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[(3R)-1-(thiophen-3-ylmethyl)piperidin-3-yl]methyl]furan-2-carboxamide
CID 25450902
N-[[1-[[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]piperidin-3-yl]methyl]furan-2-carboxamide
CID 45239979
N-[[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)piperidin-3-yl]methyl]furan-2-carboxamide
CID 45199299
N-[[(3S)-1-[[2-(2-phenylethynyl)phenyl]methyl]piperidin-3-yl]methyl]furan-2-carboxamide
CID 26329221
N-[[(3S)-1-[(6-chloro-2H-chromen-3-yl)methyl]piperidin-3-yl]methyl]furan-2-carboxamide
CID 97282357
N-[[(3S)-1-(4-methylthiophen-2-yl)sulfonylpiperidin-3-yl]methyl]furan-2-carboxamide
CID 42355799
N-[[1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]methyl]furan-2-carboxamide
CID 45244496
N-[[1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperidin-3-yl]methyl]furan-2-carboxamide
CID 155944636
N-[[(3R)-1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 95191321
2,6-dimethyl-N-[[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl]benzamide
CID 97227448
N-[[1-(5-fluoropentyl)piperidin-3-yl]methyl]-1,3-dimethylpyrazole-4-carboxamide
CID 131945640
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]furan-2-carboxamide
CID 94017739

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(1,4-dimethylpyrazol-3-yl)methyl]piperidin-3-yl]methyl]furan-2-carboxamide?
The IUPAC name of N-[[1-[(1,4-dimethylpyrazol-3-yl)methyl]piperidin-3-yl]methyl]furan-2-carboxamide (CID 166256117) is N-[[1-[(1,4-dimethylpyrazol-3-yl)methyl]piperidin-3-yl]methyl]furan-2-carboxamide.
What is the SMILES notation for N-[[1-[(1,4-dimethylpyrazol-3-yl)methyl]piperidin-3-yl]methyl]furan-2-carboxamide?
The canonical SMILES for N-[[1-[(1,4-dimethylpyrazol-3-yl)methyl]piperidin-3-yl]methyl]furan-2-carboxamide is Cc1cn(C)nc1CN1CCCC(CNC(=O)c2ccco2)C1.
What is the InChIKey of N-[[1-[(1,4-dimethylpyrazol-3-yl)methyl]piperidin-3-yl]methyl]furan-2-carboxamide?
The InChIKey is KDVDZAQDFPBWKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-13-10-20(2)19-15(13)12-21-7-3-5-14(11-21)9-18-17(22)16-6-4-8-23-16/h4,6,8,10,14H,3,5,7,9,11-12H2,1-2H3,(H,18,22).
What are the key properties of N-[[1-[(1,4-dimethylpyrazol-3-yl)methyl]piperidin-3-yl]methyl]furan-2-carboxamide?
N-[[1-[(1,4-dimethylpyrazol-3-yl)methyl]piperidin-3-yl]methyl]furan-2-carboxamide has a molecular weight of 316.40 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(1,4-dimethylpyrazol-3-yl)methyl]piperidin-3-yl]methyl]furan-2-carboxamide is sourced from PubChem (CID 166256117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).