2-(4-benzylpiperazin-1-yl)-N-(5-chloro-2-pyridinyl)acetamide

C18H21ClN4O — CID 971239

IUPAC2-(4-benzylpiperazin-1-yl)-N-(5-chloro-2-pyridinyl)acetamide
SMILESO=C(CN1CCN(Cc2ccccc2)CC1)Nc1ccc(Cl)cn1
InChIInChI=1S/C18H21ClN4O/c19-16-6-7-17(20-12-16)21-18(24)14-23-10-8-22(9-11-23)13-15-4-2-1-3-5-15/h1-7,12H,8-11,13-14H2,(H,20,21,24)
InChIKeyAGNHUJZNTMJTRA-UHFFFAOYSA-N
MW344.85 g/mol
LogP2.49
Rot. Bonds5

About 2-(4-benzylpiperazin-1-yl)-N-(5-chloro-2-pyridinyl)acetamide

2-(4-benzylpiperazin-1-yl)-N-(5-chloro-2-pyridinyl)acetamide (PubChem CID 971239) has the molecular formula C18H21ClN4O and a molecular weight of 344.85 g/mol. Its IUPAC name is 2-(4-benzylpiperazin-1-yl)-N-(5-chloro-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-(4-benzylpiperazin-1-yl)-N-(5-chloro-2-pyridinyl)acetamide
PubChem CID971239
Molecular FormulaC18H21ClN4O
Molecular Weight344.85 g/mol
Exact Mass344.14
IUPAC Name2-(4-benzylpiperazin-1-yl)-N-(5-chloro-2-pyridinyl)acetamide
SMILESO=C(CN1CCN(Cc2ccccc2)CC1)Nc1ccc(Cl)cn1
InChIInChI=1S/C18H21ClN4O/c19-16-6-7-17(20-12-16)21-18(24)14-23-10-8-22(9-11-23)13-15-4-2-1-3-5-15/h1-7,12H,8-11,13-14H2,(H,20,21,24)
InChIKeyAGNHUJZNTMJTRA-UHFFFAOYSA-N
XLogP2.49
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.85
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Chloropyramine
CID 25295
N-(4-tert-Butylphenyl)-4-(3-chloropyridin-2-yl)tetrahydropyrazine-1(2H)-carboxamide
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(3S)-1-(3-chloropyridin-2-yl)-3-methyl-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide
CID 25224408
N-(5-chloropyridin-2-yl)-2-methylpentanamide
CID 2889757
N-(6-Amino-2-methyl-pyridin-3-ylmethyl)-2-[6-methyl-2-oxo-3-(2-pyridin-3-yl-ethylamino)-2H-pyrazin-1-yl]-acetamide
CID 10884041
N-(6-Amino-2-methyl-pyridin-3-ylmethyl)-2-[6-methyl-2-oxo-3-(2-pyridin-2-yl-ethylamino)-2H-pyrazin-1-yl]-acetamide
CID 11004075
2-(4-chlorophenyl)-N-(5-chloropyridin-2-yl)acetamide
CID 669846
1-(3-Chlorophenyl)-3-(3-methylpyridin-2-yl)urea
CID 836690
2-(4-chlorophenyl)-N-(pyridin-2-yl)acetamide
CID 670085
N-phenyl-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 4595252
2,2-dichloro-N-(5-chloro-2-pyridinyl)-3-phenylcyclopropanecarboxamide
CID 3120148
N-phenyl-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 4780744

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperazin-1-yl)-N-(5-chloro-2-pyridinyl)acetamide?
The IUPAC name of 2-(4-benzylpiperazin-1-yl)-N-(5-chloro-2-pyridinyl)acetamide (CID 971239) is 2-(4-benzylpiperazin-1-yl)-N-(5-chloro-2-pyridinyl)acetamide.
What is the SMILES notation for 2-(4-benzylpiperazin-1-yl)-N-(5-chloro-2-pyridinyl)acetamide?
The canonical SMILES for 2-(4-benzylpiperazin-1-yl)-N-(5-chloro-2-pyridinyl)acetamide is O=C(CN1CCN(Cc2ccccc2)CC1)Nc1ccc(Cl)cn1.
What is the InChIKey of 2-(4-benzylpiperazin-1-yl)-N-(5-chloro-2-pyridinyl)acetamide?
The InChIKey is AGNHUJZNTMJTRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O/c19-16-6-7-17(20-12-16)21-18(24)14-23-10-8-22(9-11-23)13-15-4-2-1-3-5-15/h1-7,12H,8-11,13-14H2,(H,20,21,24).
What are the key properties of 2-(4-benzylpiperazin-1-yl)-N-(5-chloro-2-pyridinyl)acetamide?
2-(4-benzylpiperazin-1-yl)-N-(5-chloro-2-pyridinyl)acetamide has a molecular weight of 344.85 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperazin-1-yl)-N-(5-chloro-2-pyridinyl)acetamide is sourced from PubChem (CID 971239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).