2-(2,6-dimethylanilino)-N-piperidin-4-yl-N-propylacetamide;dihydrochloride

C18H31Cl2N3O — CID 119826378

IUPAC2-(2,6-dimethylanilino)-N-piperidin-4-yl-N-propylacetamide;dihydrochloride
SMILESCCCN(C(=O)CNc1c(C)cccc1C)C1CCNCC1.Cl.Cl
InChIInChI=1S/C18H29N3O.2ClH/c1-4-12-21(16-8-10-19-11-9-16)17(22)13-20-18-14(2)6-5-7-15(18)3;;/h5-7,16,19-20H,4,8-13H2,1-3H3;2*1H
InChIKeyPVPCZUAOWKFCRA-UHFFFAOYSA-N
MW376.37 g/mol
LogP3.55
Rot. Bonds6

About 2-(2,6-dimethylanilino)-N-piperidin-4-yl-N-propylacetamide;dihydrochloride

2-(2,6-dimethylanilino)-N-piperidin-4-yl-N-propylacetamide;dihydrochloride (PubChem CID 119826378) has the molecular formula C18H31Cl2N3O and a molecular weight of 376.37 g/mol. Its IUPAC name is 2-(2,6-dimethylanilino)-N-piperidin-4-yl-N-propylacetamide;dihydrochloride.

Molecular Properties

Compound Name2-(2,6-dimethylanilino)-N-piperidin-4-yl-N-propylacetamide;dihydrochloride
PubChem CID119826378
Molecular FormulaC18H31Cl2N3O
Molecular Weight376.37 g/mol
Exact Mass375.18
IUPAC Name2-(2,6-dimethylanilino)-N-piperidin-4-yl-N-propylacetamide;dihydrochloride
SMILESCCCN(C(=O)CNc1c(C)cccc1C)C1CCNCC1.Cl.Cl
InChIInChI=1S/C18H29N3O.2ClH/c1-4-12-21(16-8-10-19-11-9-16)17(22)13-20-18-14(2)6-5-7-15(18)3;;/h5-7,16,19-20H,4,8-13H2,1-3H3;2*1H
InChIKeyPVPCZUAOWKFCRA-UHFFFAOYSA-N
XLogP3.55
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.37
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-3-phenyl-N-piperidin-4-yl-N-propylbutanamide;hydrochloride
CID 119825433
2-bromo-3-methyl-N-piperidin-4-yl-N-propylbenzamide
CID 107983067
2-(2,6-dimethoxyphenyl)-N-piperidin-4-yl-N-propylacetamide;hydrochloride
CID 119825135
3-phenyl-1-piperidin-4-yl-1-propylurea
CID 18372791
3-methyl-3-phenyl-N-piperidin-4-yl-N-propylbutanamide
CID 119825434
3-(2-methylphenyl)-N-propyl-N-pyrrolidin-3-ylpropanamide
CID 62367590
3-phenyl-N-piperidin-4-yl-N-propylbutanamide;hydrochloride
CID 119824337
2-phenyl-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119532603
2-(3-fluorophenyl)-N-[2-oxo-2-[propyl(pyrrolidin-3-yl)amino]ethyl]acetamide;hydrochloride
CID 119531294
2-(1,2-oxazol-3-yl)-N-piperidin-4-yl-N-propylacetamide;dihydrochloride
CID 91659773
2-(2-tert-butylphenoxy)-N-piperidin-4-yl-N-propylacetamide;hydrochloride
CID 119824866
2-[(4-chlorophenyl)methylcarbamoylamino]-N-piperidin-4-yl-N-propylacetamide
CID 119824208

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylanilino)-N-piperidin-4-yl-N-propylacetamide;dihydrochloride?
The IUPAC name of 2-(2,6-dimethylanilino)-N-piperidin-4-yl-N-propylacetamide;dihydrochloride (CID 119826378) is 2-(2,6-dimethylanilino)-N-piperidin-4-yl-N-propylacetamide;dihydrochloride.
What is the SMILES notation for 2-(2,6-dimethylanilino)-N-piperidin-4-yl-N-propylacetamide;dihydrochloride?
The canonical SMILES for 2-(2,6-dimethylanilino)-N-piperidin-4-yl-N-propylacetamide;dihydrochloride is CCCN(C(=O)CNc1c(C)cccc1C)C1CCNCC1.Cl.Cl.
What is the InChIKey of 2-(2,6-dimethylanilino)-N-piperidin-4-yl-N-propylacetamide;dihydrochloride?
The InChIKey is PVPCZUAOWKFCRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O.2ClH/c1-4-12-21(16-8-10-19-11-9-16)17(22)13-20-18-14(2)6-5-7-15(18)3;;/h5-7,16,19-20H,4,8-13H2,1-3H3;2*1H.
What are the key properties of 2-(2,6-dimethylanilino)-N-piperidin-4-yl-N-propylacetamide;dihydrochloride?
2-(2,6-dimethylanilino)-N-piperidin-4-yl-N-propylacetamide;dihydrochloride has a molecular weight of 376.37 g/mol, XLogP of 3.55, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylanilino)-N-piperidin-4-yl-N-propylacetamide;dihydrochloride is sourced from PubChem (CID 119826378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).