N-[1-(4-chlorophenyl)propyl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide

C21H27ClN4O — CID 46527587

IUPACN-[1-(4-chlorophenyl)propyl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide
SMILESCCC(NC(=O)CN1CCN(Cc2ccccn2)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C21H27ClN4O/c1-2-20(17-6-8-18(22)9-7-17)24-21(27)16-26-13-11-25(12-14-26)15-19-5-3-4-10-23-19/h3-10,20H,2,11-16H2,1H3,(H,24,27)
InChIKeyMMQALKCIALVTRB-UHFFFAOYSA-N
MW386.93 g/mol
LogP3.12
Rot. Bonds7

About N-[1-(4-chlorophenyl)propyl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide

N-[1-(4-chlorophenyl)propyl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide (PubChem CID 46527587) has the molecular formula C21H27ClN4O and a molecular weight of 386.93 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)propyl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)propyl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide
PubChem CID46527587
Molecular FormulaC21H27ClN4O
Molecular Weight386.93 g/mol
Exact Mass386.19
IUPAC NameN-[1-(4-chlorophenyl)propyl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide
SMILESCCC(NC(=O)CN1CCN(Cc2ccccn2)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C21H27ClN4O/c1-2-20(17-6-8-18(22)9-7-17)24-21(27)16-26-13-11-25(12-14-26)15-19-5-3-4-10-23-19/h3-10,20H,2,11-16H2,1H3,(H,24,27)
InChIKeyMMQALKCIALVTRB-UHFFFAOYSA-N
XLogP3.12
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.93
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3,4-dimethylphenyl)ethyl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide
CID 43036008
N-(2,6-dichlorophenyl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide
CID 46666961
N-[1-(2-methoxyphenyl)ethyl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide
CID 55477021
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide
CID 43036024
2-(4-benzylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 46488455
N-(2-methoxyethyl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide
CID 33034393
N-[1-(4-chlorophenyl)ethyl]-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]acetamide
CID 42914266
N-(2,5-dimethylpyrazol-3-yl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide
CID 33034904
4-(4-chloroanilino)-4-oxo-2-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]butanoic acid
CID 53369388
N-[(1S)-1-phenylpropyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine
CID 96531141
N-[1-(4-fluorophenyl)propyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide
CID 45189445
N-(1-phenylbutyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 17470308

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)propyl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide?
The IUPAC name of N-[1-(4-chlorophenyl)propyl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide (CID 46527587) is N-[1-(4-chlorophenyl)propyl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)propyl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-[1-(4-chlorophenyl)propyl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide is CCC(NC(=O)CN1CCN(Cc2ccccn2)CC1)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)propyl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide?
The InChIKey is MMQALKCIALVTRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27ClN4O/c1-2-20(17-6-8-18(22)9-7-17)24-21(27)16-26-13-11-25(12-14-26)15-19-5-3-4-10-23-19/h3-10,20H,2,11-16H2,1H3,(H,24,27).
What are the key properties of N-[1-(4-chlorophenyl)propyl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide?
N-[1-(4-chlorophenyl)propyl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide has a molecular weight of 386.93 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)propyl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 46527587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).