N-(3-methylpiperidin-4-yl)-2-(3-propan-2-ylphenoxy)acetamide

C17H26N2O2 — CID 120556407

IUPACN-(3-methylpiperidin-4-yl)-2-(3-propan-2-ylphenoxy)acetamide
SMILESCC(C)c1cccc(OCC(=O)NC2CCNCC2C)c1
InChIInChI=1S/C17H26N2O2/c1-12(2)14-5-4-6-15(9-14)21-11-17(20)19-16-7-8-18-10-13(16)3/h4-6,9,12-13,16,18H,7-8,10-11H2,1-3H3,(H,19,20)
InChIKeyOULMTZXWXODNDV-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.30
Rot. Bonds5

About N-(3-methylpiperidin-4-yl)-2-(3-propan-2-ylphenoxy)acetamide

N-(3-methylpiperidin-4-yl)-2-(3-propan-2-ylphenoxy)acetamide (PubChem CID 120556407) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-(3-methylpiperidin-4-yl)-2-(3-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-(3-methylpiperidin-4-yl)-2-(3-propan-2-ylphenoxy)acetamide
PubChem CID120556407
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN-(3-methylpiperidin-4-yl)-2-(3-propan-2-ylphenoxy)acetamide
SMILESCC(C)c1cccc(OCC(=O)NC2CCNCC2C)c1
InChIInChI=1S/C17H26N2O2/c1-12(2)14-5-4-6-15(9-14)21-11-17(20)19-16-7-8-18-10-13(16)3/h4-6,9,12-13,16,18H,7-8,10-11H2,1-3H3,(H,19,20)
InChIKeyOULMTZXWXODNDV-UHFFFAOYSA-N
XLogP2.30
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methylphenoxy)-N-(3-methylpiperidin-4-yl)acetamide;hydrochloride
CID 120556862
N-(3-methylpiperidin-4-yl)-2-phenyl-2-(3-propan-2-ylphenoxy)acetamide
CID 120557297
N-(3-methylpiperidin-4-yl)-2-(4-propoxyphenoxy)acetamide
CID 120555604
N-(3-methylpiperidin-4-yl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide;hydrochloride
CID 120554661
3-(3-methylphenoxy)-N-(3-methylpiperidin-4-yl)propanamide;hydrochloride
CID 120557730
4-(3-bromophenoxy)-N-(3-methylpiperidin-4-yl)butanamide
CID 120554975
2-(2-ethylphenoxy)-N-(3-methylpiperidin-4-yl)acetamide
CID 120557733
2-(3-methoxyphenyl)-N-(3-methylpiperidin-4-yl)acetamide;hydrochloride
CID 120556859
N-(4-methylpyrrolidin-3-yl)-2-phenoxyacetamide
CID 104826135
N-(3-methylpiperidin-4-yl)-3-phenoxypropanamide
CID 79886279
3-[3-[(3-methylpiperidin-4-yl)amino]-3-oxopropoxy]benzamide;hydrochloride
CID 120557025
N-cyclopropyl-2-[[2-(3-propan-2-ylphenoxy)acetyl]amino]acetamide
CID 46446393

Frequently Asked Questions

What is the IUPAC name of N-(3-methylpiperidin-4-yl)-2-(3-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-(3-methylpiperidin-4-yl)-2-(3-propan-2-ylphenoxy)acetamide (CID 120556407) is N-(3-methylpiperidin-4-yl)-2-(3-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-(3-methylpiperidin-4-yl)-2-(3-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-(3-methylpiperidin-4-yl)-2-(3-propan-2-ylphenoxy)acetamide is CC(C)c1cccc(OCC(=O)NC2CCNCC2C)c1.
What is the InChIKey of N-(3-methylpiperidin-4-yl)-2-(3-propan-2-ylphenoxy)acetamide?
The InChIKey is OULMTZXWXODNDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-12(2)14-5-4-6-15(9-14)21-11-17(20)19-16-7-8-18-10-13(16)3/h4-6,9,12-13,16,18H,7-8,10-11H2,1-3H3,(H,19,20).
What are the key properties of N-(3-methylpiperidin-4-yl)-2-(3-propan-2-ylphenoxy)acetamide?
N-(3-methylpiperidin-4-yl)-2-(3-propan-2-ylphenoxy)acetamide has a molecular weight of 290.41 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylpiperidin-4-yl)-2-(3-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 120556407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).