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

C19H23ClN4O — CID 46055856

IUPAC2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(pyridin-2-ylmethyl)propanamide
SMILESCC(C(=O)NCc1ccccn1)N1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H23ClN4O/c1-15(19(25)22-14-17-4-2-3-9-21-17)23-10-12-24(13-11-23)18-7-5-16(20)6-8-18/h2-9,15H,10-14H2,1H3,(H,22,25)
InChIKeyKZRWFXGHZHAAQE-UHFFFAOYSA-N
MW358.87 g/mol
LogP2.56
Rot. Bonds5

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

2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(pyridin-2-ylmethyl)propanamide (PubChem CID 46055856) has the molecular formula C19H23ClN4O and a molecular weight of 358.87 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(pyridin-2-ylmethyl)propanamide.

Molecular Properties

Compound Name2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(pyridin-2-ylmethyl)propanamide
PubChem CID46055856
Molecular FormulaC19H23ClN4O
Molecular Weight358.87 g/mol
Exact Mass358.16
IUPAC Name2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(pyridin-2-ylmethyl)propanamide
SMILESCC(C(=O)NCc1ccccn1)N1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H23ClN4O/c1-15(19(25)22-14-17-4-2-3-9-21-17)23-10-12-24(13-11-23)18-7-5-16(20)6-8-18/h2-9,15H,10-14H2,1H3,(H,22,25)
InChIKeyKZRWFXGHZHAAQE-UHFFFAOYSA-N
XLogP2.56
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(pyridin-2-ylmethyl)propanamide?
The IUPAC name of 2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(pyridin-2-ylmethyl)propanamide (CID 46055856) is 2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(pyridin-2-ylmethyl)propanamide.
What is the SMILES notation for 2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(pyridin-2-ylmethyl)propanamide?
The canonical SMILES for 2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(pyridin-2-ylmethyl)propanamide is CC(C(=O)NCc1ccccn1)N1CCN(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(pyridin-2-ylmethyl)propanamide?
The InChIKey is KZRWFXGHZHAAQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O/c1-15(19(25)22-14-17-4-2-3-9-21-17)23-10-12-24(13-11-23)18-7-5-16(20)6-8-18/h2-9,15H,10-14H2,1H3,(H,22,25).
What are the key properties of 2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(pyridin-2-ylmethyl)propanamide?
2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(pyridin-2-ylmethyl)propanamide has a molecular weight of 358.87 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(pyridin-2-ylmethyl)propanamide is sourced from PubChem (CID 46055856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).