N-(3-chloro-4-hydroxyphenyl)-3-piperidin-2-ylpropanamide

C14H19ClN2O2 — CID 107679893

IUPACN-(3-chloro-4-hydroxyphenyl)-3-piperidin-2-ylpropanamide
SMILESO=C(CCC1CCCCN1)Nc1ccc(O)c(Cl)c1
InChIInChI=1S/C14H19ClN2O2/c15-12-9-11(4-6-13(12)18)17-14(19)7-5-10-3-1-2-8-16-10/h4,6,9-10,16,18H,1-3,5,7-8H2,(H,17,19)
InChIKeyWPUZHEZAYMPGTN-UHFFFAOYSA-N
MW282.77 g/mol
LogP2.91
Rot. Bonds4

About N-(3-chloro-4-hydroxyphenyl)-3-piperidin-2-ylpropanamide

N-(3-chloro-4-hydroxyphenyl)-3-piperidin-2-ylpropanamide (PubChem CID 107679893) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is N-(3-chloro-4-hydroxyphenyl)-3-piperidin-2-ylpropanamide.

Molecular Properties

Compound NameN-(3-chloro-4-hydroxyphenyl)-3-piperidin-2-ylpropanamide
PubChem CID107679893
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC NameN-(3-chloro-4-hydroxyphenyl)-3-piperidin-2-ylpropanamide
SMILESO=C(CCC1CCCCN1)Nc1ccc(O)c(Cl)c1
InChIInChI=1S/C14H19ClN2O2/c15-12-9-11(4-6-13(12)18)17-14(19)7-5-10-3-1-2-8-16-10/h4,6,9-10,16,18H,1-3,5,7-8H2,(H,17,19)
InChIKeyWPUZHEZAYMPGTN-UHFFFAOYSA-N
XLogP2.91
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 52.91
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-chloro-4-nitrophenyl)-3-piperidin-2-ylpropanamide
CID 82865738
N-(3-chlorophenyl)-3-piperidin-2-ylpropanamide
CID 62212060
N-(3-fluoro-4-methylphenyl)-3-piperidin-2-ylpropanamide
CID 62212237
3-(3-piperidin-2-ylpropanoylamino)benzamide
CID 62211801
N-(3-acetylphenyl)-3-piperidin-2-ylpropanamide
CID 62210606
N-(4-methylsulfanylphenyl)-3-piperidin-2-ylpropanamide
CID 62211364
3-piperidin-2-yl-N-(3,4,5-trifluorophenyl)propanamide
CID 62813870
N-(2-hydroxy-4-nitrophenyl)-3-piperidin-2-ylpropanamide
CID 107744396
N-(6-methylsulfonyl-3-pyridinyl)-3-piperidin-2-ylpropanamide
CID 62212616
N-(5-chloro-2-cyanophenyl)-3-piperidin-2-ylpropanamide
CID 62211574
N-(2,6-dibromophenyl)-3-piperidin-2-ylpropanamide
CID 107599604
N-(4-bromo-2,6-difluorophenyl)-3-piperidin-2-ylpropanamide
CID 65469168

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-hydroxyphenyl)-3-piperidin-2-ylpropanamide?
The IUPAC name of N-(3-chloro-4-hydroxyphenyl)-3-piperidin-2-ylpropanamide (CID 107679893) is N-(3-chloro-4-hydroxyphenyl)-3-piperidin-2-ylpropanamide.
What is the SMILES notation for N-(3-chloro-4-hydroxyphenyl)-3-piperidin-2-ylpropanamide?
The canonical SMILES for N-(3-chloro-4-hydroxyphenyl)-3-piperidin-2-ylpropanamide is O=C(CCC1CCCCN1)Nc1ccc(O)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-hydroxyphenyl)-3-piperidin-2-ylpropanamide?
The InChIKey is WPUZHEZAYMPGTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c15-12-9-11(4-6-13(12)18)17-14(19)7-5-10-3-1-2-8-16-10/h4,6,9-10,16,18H,1-3,5,7-8H2,(H,17,19).
What are the key properties of N-(3-chloro-4-hydroxyphenyl)-3-piperidin-2-ylpropanamide?
N-(3-chloro-4-hydroxyphenyl)-3-piperidin-2-ylpropanamide has a molecular weight of 282.77 g/mol, XLogP of 2.91, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-hydroxyphenyl)-3-piperidin-2-ylpropanamide is sourced from PubChem (CID 107679893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).