N-[5-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]formamide

C15H20ClN3O2 — CID 168653889

IUPACN-[5-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]formamide
SMILESCC(C)C(=O)N1CCN(c2ccc(Cl)cc2NC=O)CC1
InChIInChI=1S/C15H20ClN3O2/c1-11(2)15(21)19-7-5-18(6-8-19)14-4-3-12(16)9-13(14)17-10-20/h3-4,9-11H,5-8H2,1-2H3,(H,17,20)
InChIKeyWEOXBLUKCOGFEJ-UHFFFAOYSA-N
MW309.80 g/mol
LogP2.21
Rot. Bonds4

About N-[5-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]formamide

N-[5-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]formamide (PubChem CID 168653889) has the molecular formula C15H20ClN3O2 and a molecular weight of 309.80 g/mol. Its IUPAC name is N-[5-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]formamide.

Molecular Properties

Compound NameN-[5-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]formamide
PubChem CID168653889
Molecular FormulaC15H20ClN3O2
Molecular Weight309.80 g/mol
Exact Mass309.12
IUPAC NameN-[5-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]formamide
SMILESCC(C)C(=O)N1CCN(c2ccc(Cl)cc2NC=O)CC1
InChIInChI=1S/C15H20ClN3O2/c1-11(2)15(21)19-7-5-18(6-8-19)14-4-3-12(16)9-13(14)17-10-20/h3-4,9-11H,5-8H2,1-2H3,(H,17,20)
InChIKeyWEOXBLUKCOGFEJ-UHFFFAOYSA-N
XLogP2.21
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-acetylpiperazin-1-yl)-5-chlorophenyl]formamide
CID 168653528
2-[[5-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]anilino]methylidene]propanedinitrile
CID 168542812
N-[5-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-2,2-dimethylpropanamide
CID 17066065
N-[5-chloro-2-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]phenyl]formamide
CID 168653562
N-[5-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-3-methylbutanamide
CID 17066063
N-[5-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-4-propan-2-yloxybenzamide
CID 17066104
N-[5-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-3-methylbenzamide
CID 17066106
N-[5-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]naphthalene-2-carboxamide
CID 17066078
N-[5-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-3-fluorobenzamide
CID 17066085
N-(5-chloro-2-morpholin-4-ylphenyl)formamide
CID 168653887
N-[5-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-4-cyano-2-fluorobenzamide
CID 17066142
N-[5-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-2-(3,5-dimethylphenoxy)acetamide
CID 17066174

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]formamide?
The IUPAC name of N-[5-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]formamide (CID 168653889) is N-[5-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]formamide.
What is the SMILES notation for N-[5-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]formamide?
The canonical SMILES for N-[5-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]formamide is CC(C)C(=O)N1CCN(c2ccc(Cl)cc2NC=O)CC1.
What is the InChIKey of N-[5-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]formamide?
The InChIKey is WEOXBLUKCOGFEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O2/c1-11(2)15(21)19-7-5-18(6-8-19)14-4-3-12(16)9-13(14)17-10-20/h3-4,9-11H,5-8H2,1-2H3,(H,17,20).
What are the key properties of N-[5-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]formamide?
N-[5-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]formamide has a molecular weight of 309.80 g/mol, XLogP of 2.21, 4 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-(2-methylpropanoyl)piperazin-1-yl]phenyl]formamide is sourced from PubChem (CID 168653889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).