N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-4-propan-2-ylpiperidine-1-carboxamide

C18H32N4O2 — CID 71868463

IUPACN-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-4-propan-2-ylpiperidine-1-carboxamide
SMILESCOCCn1nc(C)c(CNC(=O)N2CCC(C(C)C)CC2)c1C
InChIInChI=1S/C18H32N4O2/c1-13(2)16-6-8-21(9-7-16)18(23)19-12-17-14(3)20-22(15(17)4)10-11-24-5/h13,16H,6-12H2,1-5H3,(H,19,23)
InChIKeyBBWXTGSGNXQHGM-UHFFFAOYSA-N
MW336.48 g/mol
LogP2.72
Rot. Bonds6

About N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-4-propan-2-ylpiperidine-1-carboxamide

N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-4-propan-2-ylpiperidine-1-carboxamide (PubChem CID 71868463) has the molecular formula C18H32N4O2 and a molecular weight of 336.48 g/mol. Its IUPAC name is N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-4-propan-2-ylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-4-propan-2-ylpiperidine-1-carboxamide
PubChem CID71868463
Molecular FormulaC18H32N4O2
Molecular Weight336.48 g/mol
Exact Mass336.25
IUPAC NameN-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-4-propan-2-ylpiperidine-1-carboxamide
SMILESCOCCn1nc(C)c(CNC(=O)N2CCC(C(C)C)CC2)c1C
InChIInChI=1S/C18H32N4O2/c1-13(2)16-6-8-21(9-7-16)18(23)19-12-17-14(3)20-22(15(17)4)10-11-24-5/h13,16H,6-12H2,1-5H3,(H,19,23)
InChIKeyBBWXTGSGNXQHGM-UHFFFAOYSA-N
XLogP2.72
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-4-propan-2-ylpiperidine-1-carboxamide?
The IUPAC name of N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-4-propan-2-ylpiperidine-1-carboxamide (CID 71868463) is N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-4-propan-2-ylpiperidine-1-carboxamide.
What is the SMILES notation for N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-4-propan-2-ylpiperidine-1-carboxamide?
The canonical SMILES for N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-4-propan-2-ylpiperidine-1-carboxamide is COCCn1nc(C)c(CNC(=O)N2CCC(C(C)C)CC2)c1C.
What is the InChIKey of N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-4-propan-2-ylpiperidine-1-carboxamide?
The InChIKey is BBWXTGSGNXQHGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4O2/c1-13(2)16-6-8-21(9-7-16)18(23)19-12-17-14(3)20-22(15(17)4)10-11-24-5/h13,16H,6-12H2,1-5H3,(H,19,23).
What are the key properties of N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-4-propan-2-ylpiperidine-1-carboxamide?
N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-4-propan-2-ylpiperidine-1-carboxamide has a molecular weight of 336.48 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-4-propan-2-ylpiperidine-1-carboxamide is sourced from PubChem (CID 71868463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).