(3R)-N-(2,4-dichlorophenyl)-3-piperidin-1-ylbutanamide

C15H20Cl2N2O — CID 76959171

IUPAC(3R)-N-(2,4-dichlorophenyl)-3-piperidin-1-ylbutanamide
SMILESC[C@H](CC(=O)Nc1ccc(Cl)cc1Cl)N1CCCCC1
InChIInChI=1S/C15H20Cl2N2O/c1-11(19-7-3-2-4-8-19)9-15(20)18-14-6-5-12(16)10-13(14)17/h5-6,10-11H,2-4,7-9H2,1H3,(H,18,20)/t11-/m1/s1
InChIKeyGDDYCOSWVJRUHM-LLVKDONJSA-N
MW315.24 g/mol
LogP4.20
Rot. Bonds4

About (3R)-N-(2,4-dichlorophenyl)-3-piperidin-1-ylbutanamide

(3R)-N-(2,4-dichlorophenyl)-3-piperidin-1-ylbutanamide (PubChem CID 76959171) has the molecular formula C15H20Cl2N2O and a molecular weight of 315.24 g/mol. Its IUPAC name is (3R)-N-(2,4-dichlorophenyl)-3-piperidin-1-ylbutanamide.

Molecular Properties

Compound Name(3R)-N-(2,4-dichlorophenyl)-3-piperidin-1-ylbutanamide
PubChem CID76959171
Molecular FormulaC15H20Cl2N2O
Molecular Weight315.24 g/mol
Exact Mass314.10
IUPAC Name(3R)-N-(2,4-dichlorophenyl)-3-piperidin-1-ylbutanamide
SMILESC[C@H](CC(=O)Nc1ccc(Cl)cc1Cl)N1CCCCC1
InChIInChI=1S/C15H20Cl2N2O/c1-11(19-7-3-2-4-8-19)9-15(20)18-14-6-5-12(16)10-13(14)17/h5-6,10-11H,2-4,7-9H2,1H3,(H,18,20)/t11-/m1/s1
InChIKeyGDDYCOSWVJRUHM-LLVKDONJSA-N
XLogP4.20
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.24
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,4-dichlorophenyl)-3-morpholin-4-ylbutanamide
CID 3065025
(2S)-4-(2,5-dichloroanilino)-4-oxo-2-piperidin-1-ylbutanoic acid
CID 7591839
(2R)-4-(2,5-dichloroanilino)-4-oxo-2-piperidin-1-ylbutanoic acid
CID 7591841
N-(2,4-dichlorophenyl)-2-oxo-2-piperidin-1-ylacetamide
CID 2194372
N-(2,4-dichlorophenyl)propanamide
CID 923083
N'-butan-2-yl-N-(2,4-dichlorophenyl)propanediamide
CID 108941910
methyl 2-[2-(2,4-dichloroanilino)-2-oxoethyl]sulfanylpropanoate
CID 78842724
[2-(2,4-dichloroanilino)-2-oxoethyl] 2-methylpropanoate
CID 7782622
(2S)-2-(4-acetylpiperazin-1-yl)-N-(2,4-dichlorophenyl)propanamide
CID 2690225
N-(2,4-dichlorophenyl)-2,2-dimethyl-3-oxo-3-piperidin-1-ylpropanamide
CID 108958896
(2S)-2-(azepan-1-yl)-N-(4-chloro-2-fluorophenyl)propanamide
CID 9249888
N-(4-amino-2-chlorophenyl)-2-piperidin-1-ylpropanamide
CID 16786642

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(2,4-dichlorophenyl)-3-piperidin-1-ylbutanamide?
The IUPAC name of (3R)-N-(2,4-dichlorophenyl)-3-piperidin-1-ylbutanamide (CID 76959171) is (3R)-N-(2,4-dichlorophenyl)-3-piperidin-1-ylbutanamide.
What is the SMILES notation for (3R)-N-(2,4-dichlorophenyl)-3-piperidin-1-ylbutanamide?
The canonical SMILES for (3R)-N-(2,4-dichlorophenyl)-3-piperidin-1-ylbutanamide is C[C@H](CC(=O)Nc1ccc(Cl)cc1Cl)N1CCCCC1.
What is the InChIKey of (3R)-N-(2,4-dichlorophenyl)-3-piperidin-1-ylbutanamide?
The InChIKey is GDDYCOSWVJRUHM-LLVKDONJSA-N. The full InChI is InChI=1S/C15H20Cl2N2O/c1-11(19-7-3-2-4-8-19)9-15(20)18-14-6-5-12(16)10-13(14)17/h5-6,10-11H,2-4,7-9H2,1H3,(H,18,20)/t11-/m1/s1.
What are the key properties of (3R)-N-(2,4-dichlorophenyl)-3-piperidin-1-ylbutanamide?
(3R)-N-(2,4-dichlorophenyl)-3-piperidin-1-ylbutanamide has a molecular weight of 315.24 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(2,4-dichlorophenyl)-3-piperidin-1-ylbutanamide is sourced from PubChem (CID 76959171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).