2-methyl-1-[4-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]piperidin-1-yl]propan-1-one

C18H26N4O2 — CID 86808112

IUPAC2-methyl-1-[4-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]piperidin-1-yl]propan-1-one
SMILESCc1ccc(-c2[nH]ncc2CNC2CCN(C(=O)C(C)C)CC2)o1
InChIInChI=1S/C18H26N4O2/c1-12(2)18(23)22-8-6-15(7-9-22)19-10-14-11-20-21-17(14)16-5-4-13(3)24-16/h4-5,11-12,15,19H,6-10H2,1-3H3,(H,20,21)
InChIKeyMEPKQDDXYCNVOI-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.71
Rot. Bonds5

About 2-methyl-1-[4-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]piperidin-1-yl]propan-1-one

2-methyl-1-[4-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]piperidin-1-yl]propan-1-one (PubChem CID 86808112) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 2-methyl-1-[4-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[4-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]piperidin-1-yl]propan-1-one
PubChem CID86808112
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name2-methyl-1-[4-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]piperidin-1-yl]propan-1-one
SMILESCc1ccc(-c2[nH]ncc2CNC2CCN(C(=O)C(C)C)CC2)o1
InChIInChI=1S/C18H26N4O2/c1-12(2)18(23)22-8-6-15(7-9-22)19-10-14-11-20-21-17(14)16-5-4-13(3)24-16/h4-5,11-12,15,19H,6-10H2,1-3H3,(H,20,21)
InChIKeyMEPKQDDXYCNVOI-UHFFFAOYSA-N
XLogP2.71
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-methyl-1-[4-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]piperidin-1-yl]propan-1-one with MolForge

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Related Compounds

N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-1-(2-methylpropyl)piperidin-4-amine
CID 86808598
N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-1-phenylpiperidin-4-amine
CID 47621541
3-methyl-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 86772890
2-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]acetic acid
CID 43774244
1-[3-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]propyl]piperidine-4-carboxamide
CID 56798033
N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]butan-2-amine
CID 43756376
[2-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]cyclohexyl]methanol
CID 106359756
2-methyl-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-3-(4-methylpiperazin-1-yl)propan-1-amine
CID 119122307
N,N-dimethyl-2-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]acetamide
CID 43775405
1-[(2S)-2-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]propyl]pyrrolidin-2-one
CID 94184895
4-[[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]methyl]pyrrolidin-3-ol
CID 120962125
1-[4-[(2,6-dichlorophenyl)methylamino]piperidin-1-yl]-2-methylpropan-1-one
CID 43434834

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[4-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]piperidin-1-yl]propan-1-one?
The IUPAC name of 2-methyl-1-[4-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]piperidin-1-yl]propan-1-one (CID 86808112) is 2-methyl-1-[4-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[4-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]piperidin-1-yl]propan-1-one?
The canonical SMILES for 2-methyl-1-[4-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]piperidin-1-yl]propan-1-one is Cc1ccc(-c2[nH]ncc2CNC2CCN(C(=O)C(C)C)CC2)o1.
What is the InChIKey of 2-methyl-1-[4-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]piperidin-1-yl]propan-1-one?
The InChIKey is MEPKQDDXYCNVOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-12(2)18(23)22-8-6-15(7-9-22)19-10-14-11-20-21-17(14)16-5-4-13(3)24-16/h4-5,11-12,15,19H,6-10H2,1-3H3,(H,20,21).
What are the key properties of 2-methyl-1-[4-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]piperidin-1-yl]propan-1-one?
2-methyl-1-[4-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]piperidin-1-yl]propan-1-one has a molecular weight of 330.43 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[4-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 86808112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).