N-[5-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]butanamide

C17H24ClN3O2 — CID 1253256

IUPACN-[5-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]butanamide
SMILESCCCC(=O)Nc1cc(Cl)ccc1N1CCN(C(=O)CC)CC1
InChIInChI=1S/C17H24ClN3O2/c1-3-5-16(22)19-14-12-13(18)6-7-15(14)20-8-10-21(11-9-20)17(23)4-2/h6-7,12H,3-5,8-11H2,1-2H3,(H,19,22)
InChIKeySZTCDGWWNAHPIP-UHFFFAOYSA-N
MW337.85 g/mol
LogP3.14
Rot. Bonds5

About N-[5-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]butanamide

N-[5-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]butanamide (PubChem CID 1253256) has the molecular formula C17H24ClN3O2 and a molecular weight of 337.85 g/mol. Its IUPAC name is N-[5-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]butanamide.

Molecular Properties

Compound NameN-[5-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]butanamide
PubChem CID1253256
Molecular FormulaC17H24ClN3O2
Molecular Weight337.85 g/mol
Exact Mass337.16
IUPAC NameN-[5-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]butanamide
SMILESCCCC(=O)Nc1cc(Cl)ccc1N1CCN(C(=O)CC)CC1
InChIInChI=1S/C17H24ClN3O2/c1-3-5-16(22)19-14-12-13(18)6-7-15(14)20-8-10-21(11-9-20)17(23)4-2/h6-7,12H,3-5,8-11H2,1-2H3,(H,19,22)
InChIKeySZTCDGWWNAHPIP-UHFFFAOYSA-N
XLogP3.14
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.85
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]butanamide?
The IUPAC name of N-[5-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]butanamide (CID 1253256) is N-[5-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]butanamide.
What is the SMILES notation for N-[5-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]butanamide?
The canonical SMILES for N-[5-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]butanamide is CCCC(=O)Nc1cc(Cl)ccc1N1CCN(C(=O)CC)CC1.
What is the InChIKey of N-[5-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]butanamide?
The InChIKey is SZTCDGWWNAHPIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3O2/c1-3-5-16(22)19-14-12-13(18)6-7-15(14)20-8-10-21(11-9-20)17(23)4-2/h6-7,12H,3-5,8-11H2,1-2H3,(H,19,22).
What are the key properties of N-[5-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]butanamide?
N-[5-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]butanamide has a molecular weight of 337.85 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]butanamide is sourced from PubChem (CID 1253256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).