N-(3-ethylphenyl)-2-[4-(methylamino)piperidin-1-yl]acetamide

C16H25N3O — CID 119923733

IUPACN-(3-ethylphenyl)-2-[4-(methylamino)piperidin-1-yl]acetamide
SMILESCCc1cccc(NC(=O)CN2CCC(NC)CC2)c1
InChIInChI=1S/C16H25N3O/c1-3-13-5-4-6-15(11-13)18-16(20)12-19-9-7-14(17-2)8-10-19/h4-6,11,14,17H,3,7-10,12H2,1-2H3,(H,18,20)
InChIKeyPEMWNMFBBPQUQU-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.87
Rot. Bonds5

About N-(3-ethylphenyl)-2-[4-(methylamino)piperidin-1-yl]acetamide

N-(3-ethylphenyl)-2-[4-(methylamino)piperidin-1-yl]acetamide (PubChem CID 119923733) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is N-(3-ethylphenyl)-2-[4-(methylamino)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-ethylphenyl)-2-[4-(methylamino)piperidin-1-yl]acetamide
PubChem CID119923733
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC NameN-(3-ethylphenyl)-2-[4-(methylamino)piperidin-1-yl]acetamide
SMILESCCc1cccc(NC(=O)CN2CCC(NC)CC2)c1
InChIInChI=1S/C16H25N3O/c1-3-13-5-4-6-15(11-13)18-16(20)12-19-9-7-14(17-2)8-10-19/h4-6,11,14,17H,3,7-10,12H2,1-2H3,(H,18,20)
InChIKeyPEMWNMFBBPQUQU-UHFFFAOYSA-N
XLogP1.87
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(cyclopropylmethylamino)piperidin-1-yl]-N-(3-ethylphenyl)acetamide
CID 119926805
2-[4-(cyclopropylmethylamino)piperidin-1-yl]-N-(3-ethylphenyl)acetamide;hydrochloride
CID 119926804
2-(3-aminopyrrolidin-1-yl)-N-(3-ethylphenyl)acetamide
CID 62067698
1-[2-(3-ethylanilino)-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 63032214
N-(3-ethylphenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60642263
N-(3-ethylphenyl)-2-[3-(ethylsulfamoyl)pyrrolidin-1-yl]acetamide
CID 126817515
N-(3-ethylphenyl)-2-(3-formylpiperidin-1-yl)acetamide
CID 62656016
N-(3-acetylphenyl)-2-[3-(methylamino)pyrrolidin-1-yl]acetamide
CID 81493231
N-(3-ethylphenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide
CID 8691104
2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(3-ethylphenyl)acetamide
CID 9337529
N-(3-ethylphenyl)-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]acetamide
CID 36854994
N-[3-(aminomethyl)phenyl]-2-(4-hydroxypiperidin-1-yl)acetamide
CID 16786515

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylphenyl)-2-[4-(methylamino)piperidin-1-yl]acetamide?
The IUPAC name of N-(3-ethylphenyl)-2-[4-(methylamino)piperidin-1-yl]acetamide (CID 119923733) is N-(3-ethylphenyl)-2-[4-(methylamino)piperidin-1-yl]acetamide.
What is the SMILES notation for N-(3-ethylphenyl)-2-[4-(methylamino)piperidin-1-yl]acetamide?
The canonical SMILES for N-(3-ethylphenyl)-2-[4-(methylamino)piperidin-1-yl]acetamide is CCc1cccc(NC(=O)CN2CCC(NC)CC2)c1.
What is the InChIKey of N-(3-ethylphenyl)-2-[4-(methylamino)piperidin-1-yl]acetamide?
The InChIKey is PEMWNMFBBPQUQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-3-13-5-4-6-15(11-13)18-16(20)12-19-9-7-14(17-2)8-10-19/h4-6,11,14,17H,3,7-10,12H2,1-2H3,(H,18,20).
What are the key properties of N-(3-ethylphenyl)-2-[4-(methylamino)piperidin-1-yl]acetamide?
N-(3-ethylphenyl)-2-[4-(methylamino)piperidin-1-yl]acetamide has a molecular weight of 275.40 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylphenyl)-2-[4-(methylamino)piperidin-1-yl]acetamide is sourced from PubChem (CID 119923733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).