2-[methyl(piperidin-4-yl)amino]-N-(3-propan-2-ylphenyl)acetamide;hydrochloride

C17H28ClN3O — CID 119912537

IUPAC2-[methyl(piperidin-4-yl)amino]-N-(3-propan-2-ylphenyl)acetamide;hydrochloride
SMILESCC(C)c1cccc(NC(=O)CN(C)C2CCNCC2)c1.Cl
InChIInChI=1S/C17H27N3O.ClH/c1-13(2)14-5-4-6-15(11-14)19-17(21)12-20(3)16-7-9-18-10-8-16;/h4-6,11,13,16,18H,7-10,12H2,1-3H3,(H,19,21);1H
InChIKeyWEVQKRRXLHMPER-UHFFFAOYSA-N
MW325.88 g/mol
LogP2.85
Rot. Bonds5

About 2-[methyl(piperidin-4-yl)amino]-N-(3-propan-2-ylphenyl)acetamide;hydrochloride

2-[methyl(piperidin-4-yl)amino]-N-(3-propan-2-ylphenyl)acetamide;hydrochloride (PubChem CID 119912537) has the molecular formula C17H28ClN3O and a molecular weight of 325.88 g/mol. Its IUPAC name is 2-[methyl(piperidin-4-yl)amino]-N-(3-propan-2-ylphenyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-[methyl(piperidin-4-yl)amino]-N-(3-propan-2-ylphenyl)acetamide;hydrochloride
PubChem CID119912537
Molecular FormulaC17H28ClN3O
Molecular Weight325.88 g/mol
Exact Mass325.19
IUPAC Name2-[methyl(piperidin-4-yl)amino]-N-(3-propan-2-ylphenyl)acetamide;hydrochloride
SMILESCC(C)c1cccc(NC(=O)CN(C)C2CCNCC2)c1.Cl
InChIInChI=1S/C17H27N3O.ClH/c1-13(2)14-5-4-6-15(11-14)19-17(21)12-20(3)16-7-9-18-10-8-16;/h4-6,11,13,16,18H,7-10,12H2,1-3H3,(H,19,21);1H
InChIKeyWEVQKRRXLHMPER-UHFFFAOYSA-N
XLogP2.85
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.88
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[piperidin-4-yl(propyl)amino]-N-(3-propan-2-ylphenyl)acetamide
CID 119932780
N-(3-bromophenyl)-2-[methyl(piperidin-4-yl)amino]acetamide
CID 43607437
N-(3-ethylphenyl)-2-[methyl(piperidin-4-yl)amino]acetamide
CID 43607180
N-(3,4-dichlorophenyl)-2-[methyl(piperidin-4-yl)amino]acetamide
CID 43607288
2-[azepan-4-yl(methyl)amino]-N-(3-bromophenyl)acetamide
CID 104979514
2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-N-(3-propan-2-ylphenyl)acetamide;hydrochloride
CID 119914969
2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-N-(3-propan-2-ylphenyl)acetamide
CID 119914970
N-(3-chloro-4-methylphenyl)-2-[methyl(piperidin-4-yl)amino]acetamide
CID 43607404
N-(3-methoxyphenyl)-2-[methyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride
CID 119922797
2-piperazin-1-yl-N-(3-propan-2-ylphenyl)acetamide
CID 29009163
N-(4-cyanophenyl)-2-[methyl(piperidin-4-yl)amino]acetamide
CID 43607310
N-(3-propan-2-ylphenyl)-2-pyrrolidin-2-ylacetamide
CID 61372360

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(piperidin-4-yl)amino]-N-(3-propan-2-ylphenyl)acetamide;hydrochloride?
The IUPAC name of 2-[methyl(piperidin-4-yl)amino]-N-(3-propan-2-ylphenyl)acetamide;hydrochloride (CID 119912537) is 2-[methyl(piperidin-4-yl)amino]-N-(3-propan-2-ylphenyl)acetamide;hydrochloride.
What is the SMILES notation for 2-[methyl(piperidin-4-yl)amino]-N-(3-propan-2-ylphenyl)acetamide;hydrochloride?
The canonical SMILES for 2-[methyl(piperidin-4-yl)amino]-N-(3-propan-2-ylphenyl)acetamide;hydrochloride is CC(C)c1cccc(NC(=O)CN(C)C2CCNCC2)c1.Cl.
What is the InChIKey of 2-[methyl(piperidin-4-yl)amino]-N-(3-propan-2-ylphenyl)acetamide;hydrochloride?
The InChIKey is WEVQKRRXLHMPER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O.ClH/c1-13(2)14-5-4-6-15(11-14)19-17(21)12-20(3)16-7-9-18-10-8-16;/h4-6,11,13,16,18H,7-10,12H2,1-3H3,(H,19,21);1H.
What are the key properties of 2-[methyl(piperidin-4-yl)amino]-N-(3-propan-2-ylphenyl)acetamide;hydrochloride?
2-[methyl(piperidin-4-yl)amino]-N-(3-propan-2-ylphenyl)acetamide;hydrochloride has a molecular weight of 325.88 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(piperidin-4-yl)amino]-N-(3-propan-2-ylphenyl)acetamide;hydrochloride is sourced from PubChem (CID 119912537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).