N-(2-methoxyethyl)-3-[1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperidin-4-yl]propanamide

C18H32N4O2 — CID 42289086

IUPACN-(2-methoxyethyl)-3-[1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperidin-4-yl]propanamide
SMILESCOCCNC(=O)CCC1CCN(Cc2cc(C(C)C)n[nH]2)CC1
InChIInChI=1S/C18H32N4O2/c1-14(2)17-12-16(20-21-17)13-22-9-6-15(7-10-22)4-5-18(23)19-8-11-24-3/h12,14-15H,4-11,13H2,1-3H3,(H,19,23)(H,20,21)
InChIKeyOMZDUKBFLJDESV-UHFFFAOYSA-N
MW336.48 g/mol
LogP2.29
Rot. Bonds9

About N-(2-methoxyethyl)-3-[1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperidin-4-yl]propanamide

N-(2-methoxyethyl)-3-[1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperidin-4-yl]propanamide (PubChem CID 42289086) has the molecular formula C18H32N4O2 and a molecular weight of 336.48 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-[1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-[1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperidin-4-yl]propanamide
PubChem CID42289086
Molecular FormulaC18H32N4O2
Molecular Weight336.48 g/mol
Exact Mass336.25
IUPAC NameN-(2-methoxyethyl)-3-[1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperidin-4-yl]propanamide
SMILESCOCCNC(=O)CCC1CCN(Cc2cc(C(C)C)n[nH]2)CC1
InChIInChI=1S/C18H32N4O2/c1-14(2)17-12-16(20-21-17)13-22-9-6-15(7-10-22)4-5-18(23)19-8-11-24-3/h12,14-15H,4-11,13H2,1-3H3,(H,19,23)(H,20,21)
InChIKeyOMZDUKBFLJDESV-UHFFFAOYSA-N
XLogP2.29
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(2-methoxyethyl)-3-[1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperidin-4-yl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-[1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperidin-4-yl]propanamide?
The IUPAC name of N-(2-methoxyethyl)-3-[1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperidin-4-yl]propanamide (CID 42289086) is N-(2-methoxyethyl)-3-[1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperidin-4-yl]propanamide.
What is the SMILES notation for N-(2-methoxyethyl)-3-[1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperidin-4-yl]propanamide?
The canonical SMILES for N-(2-methoxyethyl)-3-[1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperidin-4-yl]propanamide is COCCNC(=O)CCC1CCN(Cc2cc(C(C)C)n[nH]2)CC1.
What is the InChIKey of N-(2-methoxyethyl)-3-[1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperidin-4-yl]propanamide?
The InChIKey is OMZDUKBFLJDESV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4O2/c1-14(2)17-12-16(20-21-17)13-22-9-6-15(7-10-22)4-5-18(23)19-8-11-24-3/h12,14-15H,4-11,13H2,1-3H3,(H,19,23)(H,20,21).
What are the key properties of N-(2-methoxyethyl)-3-[1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperidin-4-yl]propanamide?
N-(2-methoxyethyl)-3-[1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperidin-4-yl]propanamide has a molecular weight of 336.48 g/mol, XLogP of 2.29, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-[1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperidin-4-yl]propanamide is sourced from PubChem (CID 42289086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).