N-(3-chloro-2-piperidin-1-ylphenyl)propanamide

C14H19ClN2O — CID 4297017

IUPACN-(3-chloro-2-piperidin-1-ylphenyl)propanamide
SMILESCCC(=O)Nc1cccc(Cl)c1N1CCCCC1
InChIInChI=1S/C14H19ClN2O/c1-2-13(18)16-12-8-6-7-11(15)14(12)17-9-4-3-5-10-17/h6-8H,2-5,9-10H2,1H3,(H,16,18)
InChIKeyCQYRMLKFLCOEID-UHFFFAOYSA-N
MW266.77 g/mol
LogP3.68
Rot. Bonds3

About N-(3-chloro-2-piperidin-1-ylphenyl)propanamide

N-(3-chloro-2-piperidin-1-ylphenyl)propanamide (PubChem CID 4297017) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is N-(3-chloro-2-piperidin-1-ylphenyl)propanamide.

Molecular Properties

Compound NameN-(3-chloro-2-piperidin-1-ylphenyl)propanamide
PubChem CID4297017
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC NameN-(3-chloro-2-piperidin-1-ylphenyl)propanamide
SMILESCCC(=O)Nc1cccc(Cl)c1N1CCCCC1
InChIInChI=1S/C14H19ClN2O/c1-2-13(18)16-12-8-6-7-11(15)14(12)17-9-4-3-5-10-17/h6-8H,2-5,9-10H2,1H3,(H,16,18)
InChIKeyCQYRMLKFLCOEID-UHFFFAOYSA-N
XLogP3.68
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-chloro-2-pyrrolidin-1-ylphenyl)propanamide
CID 4308425
N-[3-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]propanamide
CID 17027292
N-[3-chloro-2-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]propanamide
CID 17066177
2-(2-aminoethylsulfanyl)-N-(3-chloro-2-piperidin-1-ylphenyl)acetamide
CID 134064860
N-(2-piperidin-1-ylphenyl)propanamide
CID 960826
N-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]butanamide
CID 17018500
N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]butanamide
CID 952456
N-(3-chloro-2-piperidin-1-ylphenyl)benzamide
CID 952564
N-(3-chloro-2-piperidin-1-ylphenyl)-4-methylbenzamide
CID 952476
N-(3-chloro-2-hydroxyphenyl)propanamide
CID 11206429
N-(3-chloro-2-piperidin-1-ylphenyl)-2-(4-nitrophenoxy)acetamide
CID 1252873
4-butoxy-N-(3-chloro-2-pyrrolidin-1-ylphenyl)benzamide
CID 4000816

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-piperidin-1-ylphenyl)propanamide?
The IUPAC name of N-(3-chloro-2-piperidin-1-ylphenyl)propanamide (CID 4297017) is N-(3-chloro-2-piperidin-1-ylphenyl)propanamide.
What is the SMILES notation for N-(3-chloro-2-piperidin-1-ylphenyl)propanamide?
The canonical SMILES for N-(3-chloro-2-piperidin-1-ylphenyl)propanamide is CCC(=O)Nc1cccc(Cl)c1N1CCCCC1.
What is the InChIKey of N-(3-chloro-2-piperidin-1-ylphenyl)propanamide?
The InChIKey is CQYRMLKFLCOEID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-2-13(18)16-12-8-6-7-11(15)14(12)17-9-4-3-5-10-17/h6-8H,2-5,9-10H2,1H3,(H,16,18).
What are the key properties of N-(3-chloro-2-piperidin-1-ylphenyl)propanamide?
N-(3-chloro-2-piperidin-1-ylphenyl)propanamide has a molecular weight of 266.77 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-piperidin-1-ylphenyl)propanamide is sourced from PubChem (CID 4297017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).