N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3-(4-methylpyrazol-1-yl)propanamide

C16H28N4O2 — CID 71880008

IUPACN-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3-(4-methylpyrazol-1-yl)propanamide
SMILESCOCCN1CCC(CNC(=O)CCn2cc(C)cn2)CC1
InChIInChI=1S/C16H28N4O2/c1-14-11-18-20(13-14)8-5-16(21)17-12-15-3-6-19(7-4-15)9-10-22-2/h11,13,15H,3-10,12H2,1-2H3,(H,17,21)
InChIKeyBSWUMTJBNUAIHJ-UHFFFAOYSA-N
MW308.43 g/mol
LogP1.06
Rot. Bonds8

About N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3-(4-methylpyrazol-1-yl)propanamide

N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3-(4-methylpyrazol-1-yl)propanamide (PubChem CID 71880008) has the molecular formula C16H28N4O2 and a molecular weight of 308.43 g/mol. Its IUPAC name is N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3-(4-methylpyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3-(4-methylpyrazol-1-yl)propanamide
PubChem CID71880008
Molecular FormulaC16H28N4O2
Molecular Weight308.43 g/mol
Exact Mass308.22
IUPAC NameN-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3-(4-methylpyrazol-1-yl)propanamide
SMILESCOCCN1CCC(CNC(=O)CCn2cc(C)cn2)CC1
InChIInChI=1S/C16H28N4O2/c1-14-11-18-20(13-14)8-5-16(21)17-12-15-3-6-19(7-4-15)9-10-22-2/h11,13,15H,3-10,12H2,1-2H3,(H,17,21)
InChIKeyBSWUMTJBNUAIHJ-UHFFFAOYSA-N
XLogP1.06
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-2-(4-methylpyrazol-1-yl)acetamide
CID 91836659
3-(4-methylpyrazol-1-yl)-N-[(1-methylsulfonylpiperidin-4-yl)methyl]propanamide
CID 131941530
N-[[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-3-(1-methylpyrazol-4-yl)propanamide
CID 129369601
N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-(6-methyl-3-pyridinyl)acetamide
CID 71880016
N-cyclopropyl-3-(4-methylpyrazol-1-yl)propanamide
CID 19559575
N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-6-methylpyridine-3-carboxamide
CID 71880041
3-cyclobutyl-N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]propanamide
CID 131900683
3-(4-methylpyrazol-1-yl)-N-(2-sulfanylethyl)propanamide
CID 19559644
N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-(6-methyl-1H-indol-3-yl)acetamide
CID 71879976
4-methoxy-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]benzamide
CID 16895498
4-bromo-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]benzamide
CID 16895556
N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-quinolin-8-ylacetamide
CID 71879938

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3-(4-methylpyrazol-1-yl)propanamide?
The IUPAC name of N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3-(4-methylpyrazol-1-yl)propanamide (CID 71880008) is N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3-(4-methylpyrazol-1-yl)propanamide.
What is the SMILES notation for N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3-(4-methylpyrazol-1-yl)propanamide?
The canonical SMILES for N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3-(4-methylpyrazol-1-yl)propanamide is COCCN1CCC(CNC(=O)CCn2cc(C)cn2)CC1.
What is the InChIKey of N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3-(4-methylpyrazol-1-yl)propanamide?
The InChIKey is BSWUMTJBNUAIHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O2/c1-14-11-18-20(13-14)8-5-16(21)17-12-15-3-6-19(7-4-15)9-10-22-2/h11,13,15H,3-10,12H2,1-2H3,(H,17,21).
What are the key properties of N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3-(4-methylpyrazol-1-yl)propanamide?
N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3-(4-methylpyrazol-1-yl)propanamide has a molecular weight of 308.43 g/mol, XLogP of 1.06, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3-(4-methylpyrazol-1-yl)propanamide is sourced from PubChem (CID 71880008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).