N-(6-chloro-3-pyridinyl)-2-methyl-2-piperazin-1-ylpropanamide

C13H19ClN4O — CID 81490002

IUPACN-(6-chloro-3-pyridinyl)-2-methyl-2-piperazin-1-ylpropanamide
SMILESCC(C)(C(=O)Nc1ccc(Cl)nc1)N1CCNCC1
InChIInChI=1S/C13H19ClN4O/c1-13(2,18-7-5-15-6-8-18)12(19)17-10-3-4-11(14)16-9-10/h3-4,9,15H,5-8H2,1-2H3,(H,17,19)
InChIKeyMWPLIJDHXMMKAS-UHFFFAOYSA-N
MW282.77 g/mol
LogP1.36
Rot. Bonds3

About N-(6-chloro-3-pyridinyl)-2-methyl-2-piperazin-1-ylpropanamide

N-(6-chloro-3-pyridinyl)-2-methyl-2-piperazin-1-ylpropanamide (PubChem CID 81490002) has the molecular formula C13H19ClN4O and a molecular weight of 282.77 g/mol. Its IUPAC name is N-(6-chloro-3-pyridinyl)-2-methyl-2-piperazin-1-ylpropanamide.

Molecular Properties

Compound NameN-(6-chloro-3-pyridinyl)-2-methyl-2-piperazin-1-ylpropanamide
PubChem CID81490002
Molecular FormulaC13H19ClN4O
Molecular Weight282.77 g/mol
Exact Mass282.12
IUPAC NameN-(6-chloro-3-pyridinyl)-2-methyl-2-piperazin-1-ylpropanamide
SMILESCC(C)(C(=O)Nc1ccc(Cl)nc1)N1CCNCC1
InChIInChI=1S/C13H19ClN4O/c1-13(2,18-7-5-15-6-8-18)12(19)17-10-3-4-11(14)16-9-10/h3-4,9,15H,5-8H2,1-2H3,(H,17,19)
InChIKeyMWPLIJDHXMMKAS-UHFFFAOYSA-N
XLogP1.36
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chloro-3-methoxyphenyl)-2-methyl-2-piperazin-1-ylpropanamide
CID 107621761
2-methyl-N-(5-methyl-3-pyridinyl)-2-piperazin-1-ylpropanamide
CID 103814539
2-methyl-2-piperazin-1-yl-N-(1H-pyrazol-5-yl)propanamide
CID 80548785
N-(1-ethylpyrazol-4-yl)-2-methyl-2-piperazin-1-ylpropanamide
CID 80548611
N-(2,6-dichloro-3-methylphenyl)-2-methyl-2-piperazin-1-ylpropanamide
CID 80547728
N-(6-chloro-3-pyridinyl)-2-piperidin-4-ylsulfanylacetamide
CID 114627925
N-(1,3-benzothiazol-2-yl)-2-methyl-2-piperazin-1-ylpropanamide
CID 80547309
6-chloro-N-prop-1-en-2-ylpyridin-3-amine
CID 89013102
1-(6-chloro-3-pyridinyl)-3-(1-hydroxy-2-methylpentan-2-yl)urea
CID 111630107
2-methyl-2-piperazin-1-yl-N-(2-propylphenyl)propanamide
CID 80548084
2-methyl-2-piperazin-1-yl-N-(2,3,4-trifluorophenyl)propanamide
CID 80548019
2-methyl-2-piperazin-1-yl-N-(2,4,6-trifluorophenyl)propanamide
CID 80550540

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-3-pyridinyl)-2-methyl-2-piperazin-1-ylpropanamide?
The IUPAC name of N-(6-chloro-3-pyridinyl)-2-methyl-2-piperazin-1-ylpropanamide (CID 81490002) is N-(6-chloro-3-pyridinyl)-2-methyl-2-piperazin-1-ylpropanamide.
What is the SMILES notation for N-(6-chloro-3-pyridinyl)-2-methyl-2-piperazin-1-ylpropanamide?
The canonical SMILES for N-(6-chloro-3-pyridinyl)-2-methyl-2-piperazin-1-ylpropanamide is CC(C)(C(=O)Nc1ccc(Cl)nc1)N1CCNCC1.
What is the InChIKey of N-(6-chloro-3-pyridinyl)-2-methyl-2-piperazin-1-ylpropanamide?
The InChIKey is MWPLIJDHXMMKAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN4O/c1-13(2,18-7-5-15-6-8-18)12(19)17-10-3-4-11(14)16-9-10/h3-4,9,15H,5-8H2,1-2H3,(H,17,19).
What are the key properties of N-(6-chloro-3-pyridinyl)-2-methyl-2-piperazin-1-ylpropanamide?
N-(6-chloro-3-pyridinyl)-2-methyl-2-piperazin-1-ylpropanamide has a molecular weight of 282.77 g/mol, XLogP of 1.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-3-pyridinyl)-2-methyl-2-piperazin-1-ylpropanamide is sourced from PubChem (CID 81490002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).