(3R)-3-(4,5-dichloro-2-hydroxyphenyl)-3-piperidin-4-ylpropanamide

C14H18Cl2N2O2 — CID 167323458

IUPAC(3R)-3-(4,5-dichloro-2-hydroxyphenyl)-3-piperidin-4-ylpropanamide
SMILESNC(=O)C[C@@H](c1cc(Cl)c(Cl)cc1O)C1CCNCC1
InChIInChI=1S/C14H18Cl2N2O2/c15-11-5-10(13(19)7-12(11)16)9(6-14(17)20)8-1-3-18-4-2-8/h5,7-9,18-19H,1-4,6H2,(H2,17,20)/t9-/m1/s1
InChIKeyUQYCGPVXPYXJDK-SECBINFHSA-N
MW317.22 g/mol
LogP2.66
Rot. Bonds4

About (3R)-3-(4,5-dichloro-2-hydroxyphenyl)-3-piperidin-4-ylpropanamide

(3R)-3-(4,5-dichloro-2-hydroxyphenyl)-3-piperidin-4-ylpropanamide (PubChem CID 167323458) has the molecular formula C14H18Cl2N2O2 and a molecular weight of 317.22 g/mol. Its IUPAC name is (3R)-3-(4,5-dichloro-2-hydroxyphenyl)-3-piperidin-4-ylpropanamide.

Molecular Properties

Compound Name(3R)-3-(4,5-dichloro-2-hydroxyphenyl)-3-piperidin-4-ylpropanamide
PubChem CID167323458
Molecular FormulaC14H18Cl2N2O2
Molecular Weight317.22 g/mol
Exact Mass316.07
IUPAC Name(3R)-3-(4,5-dichloro-2-hydroxyphenyl)-3-piperidin-4-ylpropanamide
SMILESNC(=O)C[C@@H](c1cc(Cl)c(Cl)cc1O)C1CCNCC1
InChIInChI=1S/C14H18Cl2N2O2/c15-11-5-10(13(19)7-12(11)16)9(6-14(17)20)8-1-3-18-4-2-8/h5,7-9,18-19H,1-4,6H2,(H2,17,20)/t9-/m1/s1
InChIKeyUQYCGPVXPYXJDK-SECBINFHSA-N
XLogP2.66
TPSA75.35 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 ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1-acetylpiperidin-4-yl)-2-(4,5-dichloro-2-hydroxyphenyl)ethyl]-2,2,2-trifluoroacetamide
CID 156252081
[2-(3-Carbamoylpiperidin-4-yl)-4,5-dichlorophenoxy] thiohypofluorite
CID 156722744
2-((5R)-5-(4,5-dichloro-2-hydroxyphenyl)pyrro-lidin-3-yl)acetamide
CID 165397541
4,5-Dichloro-3-fluoro-2-(piperidin-4-ylmethyl)phenol
CID 156723254
4-Chloro-2-(3-oxo-1-phenyl-3-piperazin-1-ylpropyl)phenol
CID 2952686
N-butan-2-yl-3-(5-chloro-2-hydroxyphenyl)-3-phenylpropanamide
CID 4171199
(4,5-Dichloro-2-hydroxyphenyl)-piperidin-4-ylmethanone
CID 82553924
4,5-Dichloro-2-piperidin-4-ylphenol
CID 129954456
4,5-Dichloro-2-piperidin-3-ylphenol
CID 129954964
N-[2-[1-[3-(4,5-dichloro-2-hydroxyphenyl)propanoyl]piperidin-4-yl]ethyl]ethenesulfonamide
CID 134599270
1-[4-(Azetidin-3-yl)piperazin-1-yl]-3-(4,5-dichloro-2-hydroxyphenyl)propan-1-one
CID 134599281
3-(4,5-Dichloro-2-hydroxyphenyl)-1-(8-prop-2-enoyl-2,8-diazaspiro[4.5]decan-2-yl)propan-1-one
CID 148051074

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(4,5-dichloro-2-hydroxyphenyl)-3-piperidin-4-ylpropanamide?
The IUPAC name of (3R)-3-(4,5-dichloro-2-hydroxyphenyl)-3-piperidin-4-ylpropanamide (CID 167323458) is (3R)-3-(4,5-dichloro-2-hydroxyphenyl)-3-piperidin-4-ylpropanamide.
What is the SMILES notation for (3R)-3-(4,5-dichloro-2-hydroxyphenyl)-3-piperidin-4-ylpropanamide?
The canonical SMILES for (3R)-3-(4,5-dichloro-2-hydroxyphenyl)-3-piperidin-4-ylpropanamide is NC(=O)C[C@@H](c1cc(Cl)c(Cl)cc1O)C1CCNCC1.
What is the InChIKey of (3R)-3-(4,5-dichloro-2-hydroxyphenyl)-3-piperidin-4-ylpropanamide?
The InChIKey is UQYCGPVXPYXJDK-SECBINFHSA-N. The full InChI is InChI=1S/C14H18Cl2N2O2/c15-11-5-10(13(19)7-12(11)16)9(6-14(17)20)8-1-3-18-4-2-8/h5,7-9,18-19H,1-4,6H2,(H2,17,20)/t9-/m1/s1.
What are the key properties of (3R)-3-(4,5-dichloro-2-hydroxyphenyl)-3-piperidin-4-ylpropanamide?
(3R)-3-(4,5-dichloro-2-hydroxyphenyl)-3-piperidin-4-ylpropanamide has a molecular weight of 317.22 g/mol, XLogP of 2.66, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(4,5-dichloro-2-hydroxyphenyl)-3-piperidin-4-ylpropanamide is sourced from PubChem (CID 167323458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).