N-(2,6-dichlorophenyl)-3-piperidin-4-ylpropanamide

C14H18Cl2N2O — CID 65468978

IUPACN-(2,6-dichlorophenyl)-3-piperidin-4-ylpropanamide
SMILESO=C(CCC1CCNCC1)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C14H18Cl2N2O/c15-11-2-1-3-12(16)14(11)18-13(19)5-4-10-6-8-17-9-7-10/h1-3,10,17H,4-9H2,(H,18,19)
InChIKeyQEFFCGBSHDQNDT-UHFFFAOYSA-N
MW301.22 g/mol
LogP3.71
Rot. Bonds4

About N-(2,6-dichlorophenyl)-3-piperidin-4-ylpropanamide

N-(2,6-dichlorophenyl)-3-piperidin-4-ylpropanamide (PubChem CID 65468978) has the molecular formula C14H18Cl2N2O and a molecular weight of 301.22 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-3-piperidin-4-ylpropanamide.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-3-piperidin-4-ylpropanamide
PubChem CID65468978
Molecular FormulaC14H18Cl2N2O
Molecular Weight301.22 g/mol
Exact Mass300.08
IUPAC NameN-(2,6-dichlorophenyl)-3-piperidin-4-ylpropanamide
SMILESO=C(CCC1CCNCC1)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C14H18Cl2N2O/c15-11-2-1-3-12(16)14(11)18-13(19)5-4-10-6-8-17-9-7-10/h1-3,10,17H,4-9H2,(H,18,19)
InChIKeyQEFFCGBSHDQNDT-UHFFFAOYSA-N
XLogP3.71
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.22
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,6-dichloro-3-methylphenyl)-3-piperidin-4-ylpropanamide
CID 62211874
N-(2,4-dichlorophenyl)-3-piperidin-4-ylpropanamide
CID 62210490
N-[(2-chlorophenyl)methyl]-3-piperidin-4-ylpropanamide
CID 62212576
N-(3,5-dichloro-4-hydroxyphenyl)-3-piperidin-4-ylpropanamide
CID 107680294
N,N'-bis(2,6-dichlorophenyl)butanediamide
CID 1010966
N-(2-bromo-3-chlorophenyl)-3-pyrrolidin-3-ylpropanamide
CID 103479444
4-chloro-3-(3-piperidin-4-ylpropanoylamino)benzoic acid
CID 62210412
N-(2,6-dichlorophenyl)-3-[piperidin-4-yl(propyl)amino]propanamide
CID 119932799
N-(2,6-dichlorophenyl)-2-[ethyl(piperidin-4-ylmethyl)amino]acetamide;hydrochloride
CID 119929877
N-[(1S)-1-(2-chlorophenyl)ethyl]-3-piperidin-4-ylpropanamide
CID 81379365
N-(2-methylphenyl)-3-piperidin-4-ylpropanamide
CID 62210327
2-(azetidin-3-yl)-N-(2,6-dichlorophenyl)acetamide
CID 65469553

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-3-piperidin-4-ylpropanamide?
The IUPAC name of N-(2,6-dichlorophenyl)-3-piperidin-4-ylpropanamide (CID 65468978) is N-(2,6-dichlorophenyl)-3-piperidin-4-ylpropanamide.
What is the SMILES notation for N-(2,6-dichlorophenyl)-3-piperidin-4-ylpropanamide?
The canonical SMILES for N-(2,6-dichlorophenyl)-3-piperidin-4-ylpropanamide is O=C(CCC1CCNCC1)Nc1c(Cl)cccc1Cl.
What is the InChIKey of N-(2,6-dichlorophenyl)-3-piperidin-4-ylpropanamide?
The InChIKey is QEFFCGBSHDQNDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O/c15-11-2-1-3-12(16)14(11)18-13(19)5-4-10-6-8-17-9-7-10/h1-3,10,17H,4-9H2,(H,18,19).
What are the key properties of N-(2,6-dichlorophenyl)-3-piperidin-4-ylpropanamide?
N-(2,6-dichlorophenyl)-3-piperidin-4-ylpropanamide has a molecular weight of 301.22 g/mol, XLogP of 3.71, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)-3-piperidin-4-ylpropanamide is sourced from PubChem (CID 65468978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).