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

C16H28N4O2 — CID 71880012

IUPACN-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3-(1-methylpyrazol-4-yl)propanamide
SMILESCOCCN1CCC(CNC(=O)CCc2cnn(C)c2)CC1
InChIInChI=1S/C16H28N4O2/c1-19-13-15(12-18-19)3-4-16(21)17-11-14-5-7-20(8-6-14)9-10-22-2/h12-14H,3-11H2,1-2H3,(H,17,21)
InChIKeyDNMBJWOUYSQTJK-UHFFFAOYSA-N
MW308.43 g/mol
LogP0.83
Rot. Bonds8

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

N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3-(1-methylpyrazol-4-yl)propanamide (PubChem CID 71880012) 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-(1-methylpyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3-(1-methylpyrazol-4-yl)propanamide
PubChem CID71880012
Molecular FormulaC16H28N4O2
Molecular Weight308.43 g/mol
Exact Mass308.22
IUPAC NameN-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3-(1-methylpyrazol-4-yl)propanamide
SMILESCOCCN1CCC(CNC(=O)CCc2cnn(C)c2)CC1
InChIInChI=1S/C16H28N4O2/c1-19-13-15(12-18-19)3-4-16(21)17-11-14-5-7-20(8-6-14)9-10-22-2/h12-14H,3-11H2,1-2H3,(H,17,21)
InChIKeyDNMBJWOUYSQTJK-UHFFFAOYSA-N
XLogP0.83
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 ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3-(1-methylpyrazol-4-yl)propanamide?
The IUPAC name of N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3-(1-methylpyrazol-4-yl)propanamide (CID 71880012) is N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3-(1-methylpyrazol-4-yl)propanamide.
What is the SMILES notation for N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3-(1-methylpyrazol-4-yl)propanamide?
The canonical SMILES for N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3-(1-methylpyrazol-4-yl)propanamide is COCCN1CCC(CNC(=O)CCc2cnn(C)c2)CC1.
What is the InChIKey of N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3-(1-methylpyrazol-4-yl)propanamide?
The InChIKey is DNMBJWOUYSQTJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O2/c1-19-13-15(12-18-19)3-4-16(21)17-11-14-5-7-20(8-6-14)9-10-22-2/h12-14H,3-11H2,1-2H3,(H,17,21).
What are the key properties of N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3-(1-methylpyrazol-4-yl)propanamide?
N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3-(1-methylpyrazol-4-yl)propanamide has a molecular weight of 308.43 g/mol, XLogP of 0.83, 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-(1-methylpyrazol-4-yl)propanamide is sourced from PubChem (CID 71880012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).