N-(2,4-dichlorophenyl)-2-[piperidin-4-ylmethyl(propyl)amino]acetamide;hydrochloride

C17H26Cl3N3O — CID 119929562

IUPACN-(2,4-dichlorophenyl)-2-[piperidin-4-ylmethyl(propyl)amino]acetamide;hydrochloride
SMILESCCCN(CC(=O)Nc1ccc(Cl)cc1Cl)CC1CCNCC1.Cl
InChIInChI=1S/C17H25Cl2N3O.ClH/c1-2-9-22(11-13-5-7-20-8-6-13)12-17(23)21-16-4-3-14(18)10-15(16)19;/h3-4,10,13,20H,2,5-9,11-12H2,1H3,(H,21,23);1H
InChIKeyMPPYUZAXJOQGHR-UHFFFAOYSA-N
MW394.77 g/mol
LogP4.07
Rot. Bonds7

About N-(2,4-dichlorophenyl)-2-[piperidin-4-ylmethyl(propyl)amino]acetamide;hydrochloride

N-(2,4-dichlorophenyl)-2-[piperidin-4-ylmethyl(propyl)amino]acetamide;hydrochloride (PubChem CID 119929562) has the molecular formula C17H26Cl3N3O and a molecular weight of 394.77 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-2-[piperidin-4-ylmethyl(propyl)amino]acetamide;hydrochloride.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-2-[piperidin-4-ylmethyl(propyl)amino]acetamide;hydrochloride
PubChem CID119929562
Molecular FormulaC17H26Cl3N3O
Molecular Weight394.77 g/mol
Exact Mass393.11
IUPAC NameN-(2,4-dichlorophenyl)-2-[piperidin-4-ylmethyl(propyl)amino]acetamide;hydrochloride
SMILESCCCN(CC(=O)Nc1ccc(Cl)cc1Cl)CC1CCNCC1.Cl
InChIInChI=1S/C17H25Cl2N3O.ClH/c1-2-9-22(11-13-5-7-20-8-6-13)12-17(23)21-16-4-3-14(18)10-15(16)19;/h3-4,10,13,20H,2,5-9,11-12H2,1H3,(H,21,23);1H
InChIKeyMPPYUZAXJOQGHR-UHFFFAOYSA-N
XLogP4.07
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.77
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,4-dichlorophenyl)-2-[piperidin-4-ylmethyl(propyl)amino]acetamide
CID 119929563
N-(4-amino-2-chlorophenyl)-2-[cyclopropylmethyl(propyl)amino]acetamide
CID 43588026
N-(4-chloro-2-methylphenyl)-2-[cyclopropylmethyl(propyl)amino]acetamide
CID 78821176
2-[[2-[cyclopropylmethyl(methyl)amino]-2-oxoethyl]-propylamino]-N-(2,4-dichlorophenyl)acetamide
CID 60502016
N-(2,4-dichlorophenyl)-3-piperidin-4-ylpropanamide
CID 62210490
4-[[2-(2,4-dichloroanilino)-2-oxoethyl]-propylamino]butanoic acid
CID 119134576
2-(dibutylamino)-N-(2,4-dichlorophenyl)acetamide
CID 18870877
2-[[2-(2,4-dichloroanilino)-2-oxoethyl]-propylamino]-N-(2-oxothiolan-3-yl)acetamide
CID 71866129
N-(4-chloro-2-fluorophenyl)-2-[methyl(piperidin-4-ylmethyl)amino]acetamide
CID 79702201
N-(2-chloro-4-methylphenyl)-2-[methyl(piperidin-4-ylmethyl)amino]acetamide
CID 79701270
N-(4-amino-2-chlorophenyl)-2-[cyclopropylmethyl(ethyl)amino]acetamide
CID 63955922
2-[[2-(2-bromoanilino)-2-oxoethyl]-propylamino]-N-(2,4-dichlorophenyl)acetamide
CID 27246768

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-2-[piperidin-4-ylmethyl(propyl)amino]acetamide;hydrochloride?
The IUPAC name of N-(2,4-dichlorophenyl)-2-[piperidin-4-ylmethyl(propyl)amino]acetamide;hydrochloride (CID 119929562) is N-(2,4-dichlorophenyl)-2-[piperidin-4-ylmethyl(propyl)amino]acetamide;hydrochloride.
What is the SMILES notation for N-(2,4-dichlorophenyl)-2-[piperidin-4-ylmethyl(propyl)amino]acetamide;hydrochloride?
The canonical SMILES for N-(2,4-dichlorophenyl)-2-[piperidin-4-ylmethyl(propyl)amino]acetamide;hydrochloride is CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)CC1CCNCC1.Cl.
What is the InChIKey of N-(2,4-dichlorophenyl)-2-[piperidin-4-ylmethyl(propyl)amino]acetamide;hydrochloride?
The InChIKey is MPPYUZAXJOQGHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25Cl2N3O.ClH/c1-2-9-22(11-13-5-7-20-8-6-13)12-17(23)21-16-4-3-14(18)10-15(16)19;/h3-4,10,13,20H,2,5-9,11-12H2,1H3,(H,21,23);1H.
What are the key properties of N-(2,4-dichlorophenyl)-2-[piperidin-4-ylmethyl(propyl)amino]acetamide;hydrochloride?
N-(2,4-dichlorophenyl)-2-[piperidin-4-ylmethyl(propyl)amino]acetamide;hydrochloride has a molecular weight of 394.77 g/mol, XLogP of 4.07, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-2-[piperidin-4-ylmethyl(propyl)amino]acetamide;hydrochloride is sourced from PubChem (CID 119929562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).