N-[3-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]propyl]acetamide

C14H21ClN4O — CID 47410070

IUPACN-[3-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]propyl]acetamide
SMILESCC(=O)NCCCN1CCN(c2cccc(Cl)n2)CC1
InChIInChI=1S/C14H21ClN4O/c1-12(20)16-6-3-7-18-8-10-19(11-9-18)14-5-2-4-13(15)17-14/h2,4-5H,3,6-11H2,1H3,(H,16,20)
InChIKeyPFSWQRUIMCSGOA-UHFFFAOYSA-N
MW296.80 g/mol
LogP1.38
Rot. Bonds5

About N-[3-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]propyl]acetamide

N-[3-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]propyl]acetamide (PubChem CID 47410070) has the molecular formula C14H21ClN4O and a molecular weight of 296.80 g/mol. Its IUPAC name is N-[3-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]propyl]acetamide.

Molecular Properties

Compound NameN-[3-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]propyl]acetamide
PubChem CID47410070
Molecular FormulaC14H21ClN4O
Molecular Weight296.80 g/mol
Exact Mass296.14
IUPAC NameN-[3-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]propyl]acetamide
SMILESCC(=O)NCCCN1CCN(c2cccc(Cl)n2)CC1
InChIInChI=1S/C14H21ClN4O/c1-12(20)16-6-3-7-18-8-10-19(11-9-18)14-5-2-4-13(15)17-14/h2,4-5H,3,6-11H2,1H3,(H,16,20)
InChIKeyPFSWQRUIMCSGOA-UHFFFAOYSA-N
XLogP1.38
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]acetamide
CID 59671452
N-[1-(6-chloro-2-pyridinyl)-4-methylpiperidin-4-yl]acetamide
CID 19694928
N-[3-[(5R)-4-benzyl-5-methyl-1,4-diazepan-1-yl]propyl]acetamide
CID 97092572
6-(4-methylpiperazin-1-yl)-N-(3-morpholin-4-ylpropyl)pyridine-2-carboxamide
CID 84574058
6-morpholin-4-yl-N-(3-morpholin-4-ylpropyl)pyridine-2-carboxamide
CID 84573956
N-[2-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]ethyl]-1,1-bis(4-fluorophenyl)methanimine
CID 18348695
N-[4-(4-methylpiperazin-1-yl)butyl]acetamide
CID 110459248
N-[4-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]butyl]thiophene-2-carboxamide
CID 71293871
4-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]-N-ethylpyridine-2-carboxamide
CID 84583882
N-[2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]ethyl]acetamide
CID 8754411
N-(2-acetamidoethyl)-6-chloropyridine-2-carboxamide
CID 62234709
N-[4-(4-ethylpiperazin-1-yl)butyl]acetamide
CID 110441162

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]propyl]acetamide?
The IUPAC name of N-[3-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]propyl]acetamide (CID 47410070) is N-[3-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]propyl]acetamide.
What is the SMILES notation for N-[3-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]propyl]acetamide?
The canonical SMILES for N-[3-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]propyl]acetamide is CC(=O)NCCCN1CCN(c2cccc(Cl)n2)CC1.
What is the InChIKey of N-[3-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]propyl]acetamide?
The InChIKey is PFSWQRUIMCSGOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN4O/c1-12(20)16-6-3-7-18-8-10-19(11-9-18)14-5-2-4-13(15)17-14/h2,4-5H,3,6-11H2,1H3,(H,16,20).
What are the key properties of N-[3-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]propyl]acetamide?
N-[3-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]propyl]acetamide has a molecular weight of 296.80 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]propyl]acetamide is sourced from PubChem (CID 47410070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).