N-[3-chloro-4-(4-methylpiperidin-1-yl)phenyl]butanamide

C16H23ClN2O — CID 17102767

IUPACN-[3-chloro-4-(4-methylpiperidin-1-yl)phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(N2CCC(C)CC2)c(Cl)c1
InChIInChI=1S/C16H23ClN2O/c1-3-4-16(20)18-13-5-6-15(14(17)11-13)19-9-7-12(2)8-10-19/h5-6,11-12H,3-4,7-10H2,1-2H3,(H,18,20)
InChIKeyCPQSDDFDCGEIJQ-UHFFFAOYSA-N
MW294.83 g/mol
LogP4.31
Rot. Bonds4

About N-[3-chloro-4-(4-methylpiperidin-1-yl)phenyl]butanamide

N-[3-chloro-4-(4-methylpiperidin-1-yl)phenyl]butanamide (PubChem CID 17102767) has the molecular formula C16H23ClN2O and a molecular weight of 294.83 g/mol. Its IUPAC name is N-[3-chloro-4-(4-methylpiperidin-1-yl)phenyl]butanamide.

Molecular Properties

Compound NameN-[3-chloro-4-(4-methylpiperidin-1-yl)phenyl]butanamide
PubChem CID17102767
Molecular FormulaC16H23ClN2O
Molecular Weight294.83 g/mol
Exact Mass294.15
IUPAC NameN-[3-chloro-4-(4-methylpiperidin-1-yl)phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(N2CCC(C)CC2)c(Cl)c1
InChIInChI=1S/C16H23ClN2O/c1-3-4-16(20)18-13-5-6-15(14(17)11-13)19-9-7-12(2)8-10-19/h5-6,11-12H,3-4,7-10H2,1-2H3,(H,18,20)
InChIKeyCPQSDDFDCGEIJQ-UHFFFAOYSA-N
XLogP4.31
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[3-chloro-4-(4-methylpiperidin-1-yl)phenyl]-4-methoxybenzamide
CID 17102771
N-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 2996154
N-[(3-chloro-4-morpholin-4-ylphenyl)carbamothioyl]butanamide
CID 823754
N-[[4-(4-butanoylpiperazin-1-yl)-3-chlorophenyl]carbamothioyl]butanamide
CID 22775746
N-(3-amino-4-pyrrolidin-1-ylphenyl)butanamide
CID 91676069
2-(4-methylpiperidin-1-yl)-5-(pentanoylamino)-N-[(1S)-1-phenylethyl]benzamide
CID 7301589
trans-(1R,2R)-N-[3-(3-chloro-4-pyrrolidin-1-ylanilino)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 95294533
N-(3-methoxypropyl)-2-(4-methylpiperidin-1-yl)-5-(pentanoylamino)benzamide
CID 4020156
3,4-dichloro-N-[[3-chloro-4-(4-methylpiperidin-1-yl)phenyl]carbamothioyl]benzamide
CID 17110231
N-[3-chloro-4-(4-ethylpiperazin-4-ium-1-yl)phenyl]propanamide
CID 6957202
N-[3-amino-4-(4-methylpiperazin-1-yl)phenyl]butanamide
CID 91676098
5-(decanoylamino)-N-(2-methoxyethyl)-2-(4-methylpiperidin-1-yl)benzamide
CID 5202151

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(4-methylpiperidin-1-yl)phenyl]butanamide?
The IUPAC name of N-[3-chloro-4-(4-methylpiperidin-1-yl)phenyl]butanamide (CID 17102767) is N-[3-chloro-4-(4-methylpiperidin-1-yl)phenyl]butanamide.
What is the SMILES notation for N-[3-chloro-4-(4-methylpiperidin-1-yl)phenyl]butanamide?
The canonical SMILES for N-[3-chloro-4-(4-methylpiperidin-1-yl)phenyl]butanamide is CCCC(=O)Nc1ccc(N2CCC(C)CC2)c(Cl)c1.
What is the InChIKey of N-[3-chloro-4-(4-methylpiperidin-1-yl)phenyl]butanamide?
The InChIKey is CPQSDDFDCGEIJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O/c1-3-4-16(20)18-13-5-6-15(14(17)11-13)19-9-7-12(2)8-10-19/h5-6,11-12H,3-4,7-10H2,1-2H3,(H,18,20).
What are the key properties of N-[3-chloro-4-(4-methylpiperidin-1-yl)phenyl]butanamide?
N-[3-chloro-4-(4-methylpiperidin-1-yl)phenyl]butanamide has a molecular weight of 294.83 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(4-methylpiperidin-1-yl)phenyl]butanamide is sourced from PubChem (CID 17102767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).