2-[2-(1-aminoethyl)piperidin-1-yl]-N-(3,4-dimethylphenyl)acetamide;hydrochloride

C17H28ClN3O — CID 119911982

IUPAC2-[2-(1-aminoethyl)piperidin-1-yl]-N-(3,4-dimethylphenyl)acetamide;hydrochloride
SMILESCc1ccc(NC(=O)CN2CCCCC2C(C)N)cc1C.Cl
InChIInChI=1S/C17H27N3O.ClH/c1-12-7-8-15(10-13(12)2)19-17(21)11-20-9-5-4-6-16(20)14(3)18;/h7-8,10,14,16H,4-6,9,11,18H2,1-3H3,(H,19,21);1H
InChIKeyPBDUGFGKPBSGKC-UHFFFAOYSA-N
MW325.88 g/mol
LogP2.87
Rot. Bonds4

About 2-[2-(1-aminoethyl)piperidin-1-yl]-N-(3,4-dimethylphenyl)acetamide;hydrochloride

2-[2-(1-aminoethyl)piperidin-1-yl]-N-(3,4-dimethylphenyl)acetamide;hydrochloride (PubChem CID 119911982) has the molecular formula C17H28ClN3O and a molecular weight of 325.88 g/mol. Its IUPAC name is 2-[2-(1-aminoethyl)piperidin-1-yl]-N-(3,4-dimethylphenyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-[2-(1-aminoethyl)piperidin-1-yl]-N-(3,4-dimethylphenyl)acetamide;hydrochloride
PubChem CID119911982
Molecular FormulaC17H28ClN3O
Molecular Weight325.88 g/mol
Exact Mass325.19
IUPAC Name2-[2-(1-aminoethyl)piperidin-1-yl]-N-(3,4-dimethylphenyl)acetamide;hydrochloride
SMILESCc1ccc(NC(=O)CN2CCCCC2C(C)N)cc1C.Cl
InChIInChI=1S/C17H27N3O.ClH/c1-12-7-8-15(10-13(12)2)19-17(21)11-20-9-5-4-6-16(20)14(3)18;/h7-8,10,14,16H,4-6,9,11,18H2,1-3H3,(H,19,21);1H
InChIKeyPBDUGFGKPBSGKC-UHFFFAOYSA-N
XLogP2.87
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.88
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(1-aminoethyl)piperidin-1-yl]-N-(3,4-dimethylphenyl)acetamide
CID 63255589
2-[2-(1-aminoethyl)piperidin-1-yl]-N-(3-chloro-4-methylphenyl)acetamide
CID 63255628
2-[2-(1-aminoethyl)piperidin-1-yl]-N-(1,3-benzodioxol-5-yl)acetamide;hydrochloride
CID 119911565
(2S)-1-[2-(3,4-dimethylanilino)-2-oxoethyl]piperidine-2-carboxamide
CID 41096237
2-[2-(1-aminoethyl)piperidin-1-yl]-N-(2,4-dimethylphenyl)acetamide
CID 63255724
2-[2-(1-aminoethyl)piperidin-1-yl]-N-(2-bromo-4-methylphenyl)acetamide
CID 63255859
(2S)-1-[2-(3-methyl-4-pyrrolidin-1-ylanilino)-2-oxoethyl]piperidine-2-carboxamide
CID 40792929
2-[2-(1-aminoethyl)piperidin-1-yl]-N-pyrimidin-2-ylacetamide
CID 63254876
2-[2-(1-aminoethyl)piperidin-1-yl]-N-(2-iodophenyl)acetamide
CID 63255722
3-[2-(1-aminoethyl)piperidin-1-yl]-N-phenylpropanamide;hydrochloride
CID 119911160
2-(azepan-1-yl)-N-(3,4-dimethylphenyl)acetamide
CID 8895959
2-[2-(1-aminoethyl)piperidin-1-yl]-N-cyclohexylacetamide;hydrochloride
CID 119911198

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-aminoethyl)piperidin-1-yl]-N-(3,4-dimethylphenyl)acetamide;hydrochloride?
The IUPAC name of 2-[2-(1-aminoethyl)piperidin-1-yl]-N-(3,4-dimethylphenyl)acetamide;hydrochloride (CID 119911982) is 2-[2-(1-aminoethyl)piperidin-1-yl]-N-(3,4-dimethylphenyl)acetamide;hydrochloride.
What is the SMILES notation for 2-[2-(1-aminoethyl)piperidin-1-yl]-N-(3,4-dimethylphenyl)acetamide;hydrochloride?
The canonical SMILES for 2-[2-(1-aminoethyl)piperidin-1-yl]-N-(3,4-dimethylphenyl)acetamide;hydrochloride is Cc1ccc(NC(=O)CN2CCCCC2C(C)N)cc1C.Cl.
What is the InChIKey of 2-[2-(1-aminoethyl)piperidin-1-yl]-N-(3,4-dimethylphenyl)acetamide;hydrochloride?
The InChIKey is PBDUGFGKPBSGKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O.ClH/c1-12-7-8-15(10-13(12)2)19-17(21)11-20-9-5-4-6-16(20)14(3)18;/h7-8,10,14,16H,4-6,9,11,18H2,1-3H3,(H,19,21);1H.
What are the key properties of 2-[2-(1-aminoethyl)piperidin-1-yl]-N-(3,4-dimethylphenyl)acetamide;hydrochloride?
2-[2-(1-aminoethyl)piperidin-1-yl]-N-(3,4-dimethylphenyl)acetamide;hydrochloride has a molecular weight of 325.88 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-aminoethyl)piperidin-1-yl]-N-(3,4-dimethylphenyl)acetamide;hydrochloride is sourced from PubChem (CID 119911982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).