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

C17H25Cl2N3O — CID 119929563

IUPACN-(2,4-dichlorophenyl)-2-[piperidin-4-ylmethyl(propyl)amino]acetamide
SMILESCCCN(CC(=O)Nc1ccc(Cl)cc1Cl)CC1CCNCC1
InChIInChI=1S/C17H25Cl2N3O/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)
InChIKeyOBARMJUPQGILCZ-UHFFFAOYSA-N
MW358.31 g/mol
LogP3.64
Rot. Bonds7

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

N-(2,4-dichlorophenyl)-2-[piperidin-4-ylmethyl(propyl)amino]acetamide (PubChem CID 119929563) has the molecular formula C17H25Cl2N3O and a molecular weight of 358.31 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-2-[piperidin-4-ylmethyl(propyl)amino]acetamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-2-[piperidin-4-ylmethyl(propyl)amino]acetamide
PubChem CID119929563
Molecular FormulaC17H25Cl2N3O
Molecular Weight358.31 g/mol
Exact Mass357.14
IUPAC NameN-(2,4-dichlorophenyl)-2-[piperidin-4-ylmethyl(propyl)amino]acetamide
SMILESCCCN(CC(=O)Nc1ccc(Cl)cc1Cl)CC1CCNCC1
InChIInChI=1S/C17H25Cl2N3O/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)
InChIKeyOBARMJUPQGILCZ-UHFFFAOYSA-N
XLogP3.64
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.31
LogP ≤ 53.64
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;hydrochloride
CID 119929562
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?
The IUPAC name of N-(2,4-dichlorophenyl)-2-[piperidin-4-ylmethyl(propyl)amino]acetamide (CID 119929563) is N-(2,4-dichlorophenyl)-2-[piperidin-4-ylmethyl(propyl)amino]acetamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-2-[piperidin-4-ylmethyl(propyl)amino]acetamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-2-[piperidin-4-ylmethyl(propyl)amino]acetamide is CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)CC1CCNCC1.
What is the InChIKey of N-(2,4-dichlorophenyl)-2-[piperidin-4-ylmethyl(propyl)amino]acetamide?
The InChIKey is OBARMJUPQGILCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25Cl2N3O/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).
What are the key properties of N-(2,4-dichlorophenyl)-2-[piperidin-4-ylmethyl(propyl)amino]acetamide?
N-(2,4-dichlorophenyl)-2-[piperidin-4-ylmethyl(propyl)amino]acetamide has a molecular weight of 358.31 g/mol, XLogP of 3.64, 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 is sourced from PubChem (CID 119929563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).