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

C16H28N4O2 — CID 75441301

IUPACN-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]-3,5-dimethylpiperidine-1-carboxamide
SMILESCOCCn1nc(C)c(NC(=O)N2CC(C)CC(C)C2)c1C
InChIInChI=1S/C16H28N4O2/c1-11-8-12(2)10-19(9-11)16(21)17-15-13(3)18-20(14(15)4)6-7-22-5/h11-12H,6-10H2,1-5H3,(H,17,21)
InChIKeyIRFCFRUKQUUVSN-UHFFFAOYSA-N
MW308.43 g/mol
LogP2.66
Rot. Bonds4

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

N-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]-3,5-dimethylpiperidine-1-carboxamide (PubChem CID 75441301) has the molecular formula C16H28N4O2 and a molecular weight of 308.43 g/mol. Its IUPAC name is N-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]-3,5-dimethylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]-3,5-dimethylpiperidine-1-carboxamide
PubChem CID75441301
Molecular FormulaC16H28N4O2
Molecular Weight308.43 g/mol
Exact Mass308.22
IUPAC NameN-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]-3,5-dimethylpiperidine-1-carboxamide
SMILESCOCCn1nc(C)c(NC(=O)N2CC(C)CC(C)C2)c1C
InChIInChI=1S/C16H28N4O2/c1-11-8-12(2)10-19(9-11)16(21)17-15-13(3)18-20(14(15)4)6-7-22-5/h11-12H,6-10H2,1-5H3,(H,17,21)
InChIKeyIRFCFRUKQUUVSN-UHFFFAOYSA-N
XLogP2.66
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 52.66
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]-3,5-dimethylpiperidine-1-carboxamide?
The IUPAC name of N-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]-3,5-dimethylpiperidine-1-carboxamide (CID 75441301) is N-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]-3,5-dimethylpiperidine-1-carboxamide.
What is the SMILES notation for N-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]-3,5-dimethylpiperidine-1-carboxamide?
The canonical SMILES for N-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]-3,5-dimethylpiperidine-1-carboxamide is COCCn1nc(C)c(NC(=O)N2CC(C)CC(C)C2)c1C.
What is the InChIKey of N-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]-3,5-dimethylpiperidine-1-carboxamide?
The InChIKey is IRFCFRUKQUUVSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O2/c1-11-8-12(2)10-19(9-11)16(21)17-15-13(3)18-20(14(15)4)6-7-22-5/h11-12H,6-10H2,1-5H3,(H,17,21).
What are the key properties of N-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]-3,5-dimethylpiperidine-1-carboxamide?
N-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]-3,5-dimethylpiperidine-1-carboxamide has a molecular weight of 308.43 g/mol, XLogP of 2.66, 4 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]-3,5-dimethylpiperidine-1-carboxamide is sourced from PubChem (CID 75441301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).