2-[4-(cyclopropylmethylamino)piperidin-1-yl]-N-(3-ethylphenyl)acetamide;hydrochloride

C19H30ClN3O — CID 119926804

IUPAC2-[4-(cyclopropylmethylamino)piperidin-1-yl]-N-(3-ethylphenyl)acetamide;hydrochloride
SMILESCCc1cccc(NC(=O)CN2CCC(NCC3CC3)CC2)c1.Cl
InChIInChI=1S/C19H29N3O.ClH/c1-2-15-4-3-5-18(12-15)21-19(23)14-22-10-8-17(9-11-22)20-13-16-6-7-16;/h3-5,12,16-17,20H,2,6-11,13-14H2,1H3,(H,21,23);1H
InChIKeyWIWGYOROICEEFJ-UHFFFAOYSA-N
MW351.92 g/mol
LogP3.07
Rot. Bonds7

About 2-[4-(cyclopropylmethylamino)piperidin-1-yl]-N-(3-ethylphenyl)acetamide;hydrochloride

2-[4-(cyclopropylmethylamino)piperidin-1-yl]-N-(3-ethylphenyl)acetamide;hydrochloride (PubChem CID 119926804) has the molecular formula C19H30ClN3O and a molecular weight of 351.92 g/mol. Its IUPAC name is 2-[4-(cyclopropylmethylamino)piperidin-1-yl]-N-(3-ethylphenyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-[4-(cyclopropylmethylamino)piperidin-1-yl]-N-(3-ethylphenyl)acetamide;hydrochloride
PubChem CID119926804
Molecular FormulaC19H30ClN3O
Molecular Weight351.92 g/mol
Exact Mass351.21
IUPAC Name2-[4-(cyclopropylmethylamino)piperidin-1-yl]-N-(3-ethylphenyl)acetamide;hydrochloride
SMILESCCc1cccc(NC(=O)CN2CCC(NCC3CC3)CC2)c1.Cl
InChIInChI=1S/C19H29N3O.ClH/c1-2-15-4-3-5-18(12-15)21-19(23)14-22-10-8-17(9-11-22)20-13-16-6-7-16;/h3-5,12,16-17,20H,2,6-11,13-14H2,1H3,(H,21,23);1H
InChIKeyWIWGYOROICEEFJ-UHFFFAOYSA-N
XLogP3.07
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.92
LogP ≤ 53.07
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
N-(3-ethylphenyl)-2-[4-(methylamino)piperidin-1-yl]acetamide
CID 119923733
2-[4-(cyclopropylmethylamino)piperidin-1-yl]-N-(4-ethylphenyl)acetamide
CID 119926462
N-(3-chlorophenyl)-2-[4-(cyclopropylmethylamino)piperidin-1-yl]acetamide
CID 119926822
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
2-[4-(ethylaminomethyl)piperidin-1-yl]-N-(3-fluorophenyl)acetamide;hydrochloride
CID 119928163
2-[4-(cyclopropylmethylamino)piperidin-1-yl]-N-(2,5-dimethylphenyl)acetamide;hydrochloride
CID 119926850
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-ethylphenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide
CID 8691104

Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclopropylmethylamino)piperidin-1-yl]-N-(3-ethylphenyl)acetamide;hydrochloride?
The IUPAC name of 2-[4-(cyclopropylmethylamino)piperidin-1-yl]-N-(3-ethylphenyl)acetamide;hydrochloride (CID 119926804) is 2-[4-(cyclopropylmethylamino)piperidin-1-yl]-N-(3-ethylphenyl)acetamide;hydrochloride.
What is the SMILES notation for 2-[4-(cyclopropylmethylamino)piperidin-1-yl]-N-(3-ethylphenyl)acetamide;hydrochloride?
The canonical SMILES for 2-[4-(cyclopropylmethylamino)piperidin-1-yl]-N-(3-ethylphenyl)acetamide;hydrochloride is CCc1cccc(NC(=O)CN2CCC(NCC3CC3)CC2)c1.Cl.
What is the InChIKey of 2-[4-(cyclopropylmethylamino)piperidin-1-yl]-N-(3-ethylphenyl)acetamide;hydrochloride?
The InChIKey is WIWGYOROICEEFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O.ClH/c1-2-15-4-3-5-18(12-15)21-19(23)14-22-10-8-17(9-11-22)20-13-16-6-7-16;/h3-5,12,16-17,20H,2,6-11,13-14H2,1H3,(H,21,23);1H.
What are the key properties of 2-[4-(cyclopropylmethylamino)piperidin-1-yl]-N-(3-ethylphenyl)acetamide;hydrochloride?
2-[4-(cyclopropylmethylamino)piperidin-1-yl]-N-(3-ethylphenyl)acetamide;hydrochloride has a molecular weight of 351.92 g/mol, XLogP of 3.07, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclopropylmethylamino)piperidin-1-yl]-N-(3-ethylphenyl)acetamide;hydrochloride is sourced from PubChem (CID 119926804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).