2-[3-(methylamino)piperidin-1-yl]-N-[2-(4-propan-2-yloxyphenyl)ethyl]acetamide

C19H31N3O2 — CID 119919489

IUPAC2-[3-(methylamino)piperidin-1-yl]-N-[2-(4-propan-2-yloxyphenyl)ethyl]acetamide
SMILESCNC1CCCN(CC(=O)NCCc2ccc(OC(C)C)cc2)C1
InChIInChI=1S/C19H31N3O2/c1-15(2)24-18-8-6-16(7-9-18)10-11-21-19(23)14-22-12-4-5-17(13-22)20-3/h6-9,15,17,20H,4-5,10-14H2,1-3H3,(H,21,23)
InChIKeyACZWTQMXWBRRPP-UHFFFAOYSA-N
MW333.48 g/mol
LogP1.82
Rot. Bonds8

About 2-[3-(methylamino)piperidin-1-yl]-N-[2-(4-propan-2-yloxyphenyl)ethyl]acetamide

2-[3-(methylamino)piperidin-1-yl]-N-[2-(4-propan-2-yloxyphenyl)ethyl]acetamide (PubChem CID 119919489) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is 2-[3-(methylamino)piperidin-1-yl]-N-[2-(4-propan-2-yloxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[3-(methylamino)piperidin-1-yl]-N-[2-(4-propan-2-yloxyphenyl)ethyl]acetamide
PubChem CID119919489
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC Name2-[3-(methylamino)piperidin-1-yl]-N-[2-(4-propan-2-yloxyphenyl)ethyl]acetamide
SMILESCNC1CCCN(CC(=O)NCCc2ccc(OC(C)C)cc2)C1
InChIInChI=1S/C19H31N3O2/c1-15(2)24-18-8-6-16(7-9-18)10-11-21-19(23)14-22-12-4-5-17(13-22)20-3/h6-9,15,17,20H,4-5,10-14H2,1-3H3,(H,21,23)
InChIKeyACZWTQMXWBRRPP-UHFFFAOYSA-N
XLogP1.82
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(methylamino)piperidin-1-yl]-N-[2-(4-propan-2-yloxyphenyl)ethyl]acetamide;hydrochloride
CID 119919488
2-(3-hydroxypiperidin-1-yl)-N-[2-(4-propan-2-yloxyphenyl)ethyl]acetamide
CID 110897518
N-[2-(4-tert-butylphenyl)ethyl]-2-[3-(methylamino)piperidin-1-yl]acetamide
CID 119919792
N-[[4-(difluoromethoxy)phenyl]methyl]-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119918578
2-[3-(methylamino)piperidin-1-yl]-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]acetamide;hydrochloride
CID 119920092
2-(2,4-dimethylpiperazin-1-yl)-N-[2-(4-propan-2-yloxyphenyl)ethyl]acetamide
CID 71877575
2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-[2-(4-propan-2-yloxyphenyl)ethyl]acetamide
CID 87012622
N-(2-ethoxyethyl)-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119919895
2-[(9aR)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl]-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide
CID 95297143
2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide
CID 30724972
2-[3-(methylamino)piperidin-1-yl]-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]acetamide
CID 119920407
2-[3-(methylamino)piperidin-1-yl]-N-(2-methylpropyl)acetamide;hydrochloride
CID 119920243

Frequently Asked Questions

What is the IUPAC name of 2-[3-(methylamino)piperidin-1-yl]-N-[2-(4-propan-2-yloxyphenyl)ethyl]acetamide?
The IUPAC name of 2-[3-(methylamino)piperidin-1-yl]-N-[2-(4-propan-2-yloxyphenyl)ethyl]acetamide (CID 119919489) is 2-[3-(methylamino)piperidin-1-yl]-N-[2-(4-propan-2-yloxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[3-(methylamino)piperidin-1-yl]-N-[2-(4-propan-2-yloxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-[3-(methylamino)piperidin-1-yl]-N-[2-(4-propan-2-yloxyphenyl)ethyl]acetamide is CNC1CCCN(CC(=O)NCCc2ccc(OC(C)C)cc2)C1.
What is the InChIKey of 2-[3-(methylamino)piperidin-1-yl]-N-[2-(4-propan-2-yloxyphenyl)ethyl]acetamide?
The InChIKey is ACZWTQMXWBRRPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-15(2)24-18-8-6-16(7-9-18)10-11-21-19(23)14-22-12-4-5-17(13-22)20-3/h6-9,15,17,20H,4-5,10-14H2,1-3H3,(H,21,23).
What are the key properties of 2-[3-(methylamino)piperidin-1-yl]-N-[2-(4-propan-2-yloxyphenyl)ethyl]acetamide?
2-[3-(methylamino)piperidin-1-yl]-N-[2-(4-propan-2-yloxyphenyl)ethyl]acetamide has a molecular weight of 333.48 g/mol, XLogP of 1.82, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(methylamino)piperidin-1-yl]-N-[2-(4-propan-2-yloxyphenyl)ethyl]acetamide is sourced from PubChem (CID 119919489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).