N-(3,5-dichloro-4-hydroxyphenyl)-3-piperidin-4-ylpropanamide

C14H18Cl2N2O2 — CID 107680294

IUPACN-(3,5-dichloro-4-hydroxyphenyl)-3-piperidin-4-ylpropanamide
SMILESO=C(CCC1CCNCC1)Nc1cc(Cl)c(O)c(Cl)c1
InChIInChI=1S/C14H18Cl2N2O2/c15-11-7-10(8-12(16)14(11)20)18-13(19)2-1-9-3-5-17-6-4-9/h7-9,17,20H,1-6H2,(H,18,19)
InChIKeyWAJYYEKAEOEXCT-UHFFFAOYSA-N
MW317.22 g/mol
LogP3.42
Rot. Bonds4

About N-(3,5-dichloro-4-hydroxyphenyl)-3-piperidin-4-ylpropanamide

N-(3,5-dichloro-4-hydroxyphenyl)-3-piperidin-4-ylpropanamide (PubChem CID 107680294) has the molecular formula C14H18Cl2N2O2 and a molecular weight of 317.22 g/mol. Its IUPAC name is N-(3,5-dichloro-4-hydroxyphenyl)-3-piperidin-4-ylpropanamide.

Molecular Properties

Compound NameN-(3,5-dichloro-4-hydroxyphenyl)-3-piperidin-4-ylpropanamide
PubChem CID107680294
Molecular FormulaC14H18Cl2N2O2
Molecular Weight317.22 g/mol
Exact Mass316.07
IUPAC NameN-(3,5-dichloro-4-hydroxyphenyl)-3-piperidin-4-ylpropanamide
SMILESO=C(CCC1CCNCC1)Nc1cc(Cl)c(O)c(Cl)c1
InChIInChI=1S/C14H18Cl2N2O2/c15-11-7-10(8-12(16)14(11)20)18-13(19)2-1-9-3-5-17-6-4-9/h7-9,17,20H,1-6H2,(H,18,19)
InChIKeyWAJYYEKAEOEXCT-UHFFFAOYSA-N
XLogP3.42
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.22
LogP ≤ 53.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3,5-difluorophenyl)-3-piperidin-4-ylpropanamide
CID 62210143
N-(3-chloro-4-nitrophenyl)-3-piperidin-4-ylpropanamide
CID 82865757
N-(3,5-dimethoxyphenyl)-3-piperidin-4-ylpropanamide
CID 62210135
N-(2,4-dichlorophenyl)-3-piperidin-4-ylpropanamide
CID 62210490
4-chloro-3-(3-piperidin-4-ylpropanoylamino)benzoic acid
CID 62210412
N-(4-chloro-3-cyanophenyl)-3-piperidin-4-ylpropanamide
CID 62210704
N-(2,6-dichlorophenyl)-3-piperidin-4-ylpropanamide
CID 65468978
N-(3-bromo-5-methylphenyl)-3-piperidin-4-ylpropanamide
CID 107583461
N-(4-methylsulfanylphenyl)-3-piperidin-4-ylpropanamide
CID 62211363
3-piperidin-4-yl-N-quinoxalin-6-ylpropanamide
CID 62211768
N-(2,6-dichloro-3-methylphenyl)-3-piperidin-4-ylpropanamide
CID 62211874
N-(3-bromo-4-fluorophenyl)-3-piperidin-4-ylpropanamide
CID 115870611

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-4-hydroxyphenyl)-3-piperidin-4-ylpropanamide?
The IUPAC name of N-(3,5-dichloro-4-hydroxyphenyl)-3-piperidin-4-ylpropanamide (CID 107680294) is N-(3,5-dichloro-4-hydroxyphenyl)-3-piperidin-4-ylpropanamide.
What is the SMILES notation for N-(3,5-dichloro-4-hydroxyphenyl)-3-piperidin-4-ylpropanamide?
The canonical SMILES for N-(3,5-dichloro-4-hydroxyphenyl)-3-piperidin-4-ylpropanamide is O=C(CCC1CCNCC1)Nc1cc(Cl)c(O)c(Cl)c1.
What is the InChIKey of N-(3,5-dichloro-4-hydroxyphenyl)-3-piperidin-4-ylpropanamide?
The InChIKey is WAJYYEKAEOEXCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O2/c15-11-7-10(8-12(16)14(11)20)18-13(19)2-1-9-3-5-17-6-4-9/h7-9,17,20H,1-6H2,(H,18,19).
What are the key properties of N-(3,5-dichloro-4-hydroxyphenyl)-3-piperidin-4-ylpropanamide?
N-(3,5-dichloro-4-hydroxyphenyl)-3-piperidin-4-ylpropanamide has a molecular weight of 317.22 g/mol, XLogP of 3.42, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichloro-4-hydroxyphenyl)-3-piperidin-4-ylpropanamide is sourced from PubChem (CID 107680294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).