(2S)-N-(2,5-dichlorophenyl)-2-(4-methylpiperidin-1-yl)propanamide

C15H20Cl2N2O — CID 2690347

IUPAC(2S)-N-(2,5-dichlorophenyl)-2-(4-methylpiperidin-1-yl)propanamide
SMILESCC1CCN([C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C15H20Cl2N2O/c1-10-5-7-19(8-6-10)11(2)15(20)18-14-9-12(16)3-4-13(14)17/h3-4,9-11H,5-8H2,1-2H3,(H,18,20)/t11-/m0/s1
InChIKeyKNYJRCCYPMXABX-NSHDSACASA-N
MW315.24 g/mol
LogP4.05
Rot. Bonds3

About (2S)-N-(2,5-dichlorophenyl)-2-(4-methylpiperidin-1-yl)propanamide

(2S)-N-(2,5-dichlorophenyl)-2-(4-methylpiperidin-1-yl)propanamide (PubChem CID 2690347) has the molecular formula C15H20Cl2N2O and a molecular weight of 315.24 g/mol. Its IUPAC name is (2S)-N-(2,5-dichlorophenyl)-2-(4-methylpiperidin-1-yl)propanamide.

Molecular Properties

Compound Name(2S)-N-(2,5-dichlorophenyl)-2-(4-methylpiperidin-1-yl)propanamide
PubChem CID2690347
Molecular FormulaC15H20Cl2N2O
Molecular Weight315.24 g/mol
Exact Mass314.10
IUPAC Name(2S)-N-(2,5-dichlorophenyl)-2-(4-methylpiperidin-1-yl)propanamide
SMILESCC1CCN([C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C15H20Cl2N2O/c1-10-5-7-19(8-6-10)11(2)15(20)18-14-9-12(16)3-4-13(14)17/h3-4,9-11H,5-8H2,1-2H3,(H,18,20)/t11-/m0/s1
InChIKeyKNYJRCCYPMXABX-NSHDSACASA-N
XLogP4.05
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.24
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,5-dichlorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]propanamide
CID 110899247
(2S)-2-(4-acetylpiperazin-1-yl)-N-(2,5-dichlorophenyl)propanamide
CID 2690255
(2S)-N-(2,5-dichlorophenyl)-2-(4-propylpiperazin-1-yl)propanamide
CID 7986989
2-(4-methylpiperidin-1-yl)-N-(2,3,4-trifluorophenyl)propanamide
CID 18078449
N-(2,4-dichlorophenyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]propanamide
CID 111114146
(2S)-N-(2,5-dichlorophenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]propanamide
CID 2088438
(2R)-2-(4-benzylpiperazin-1-yl)-N-(2,5-dichlorophenyl)propanamide
CID 2690189
1-[1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid
CID 119908247
(2R)-2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(2,5-dichlorophenyl)propanamide
CID 2690459
2-[4-[1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl]piperazin-1-yl]-N-cyclopropylpropanamide
CID 46681683
4-[4-[1-(2,5-dichloroanilino)-1-oxopropan-2-yl]piperazin-1-yl]benzamide
CID 86969657
(2R)-N-(4-bromo-2-fluorophenyl)-2-(4-methylpiperidin-1-yl)propanamide
CID 9444011

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2,5-dichlorophenyl)-2-(4-methylpiperidin-1-yl)propanamide?
The IUPAC name of (2S)-N-(2,5-dichlorophenyl)-2-(4-methylpiperidin-1-yl)propanamide (CID 2690347) is (2S)-N-(2,5-dichlorophenyl)-2-(4-methylpiperidin-1-yl)propanamide.
What is the SMILES notation for (2S)-N-(2,5-dichlorophenyl)-2-(4-methylpiperidin-1-yl)propanamide?
The canonical SMILES for (2S)-N-(2,5-dichlorophenyl)-2-(4-methylpiperidin-1-yl)propanamide is CC1CCN([C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)CC1.
What is the InChIKey of (2S)-N-(2,5-dichlorophenyl)-2-(4-methylpiperidin-1-yl)propanamide?
The InChIKey is KNYJRCCYPMXABX-NSHDSACASA-N. The full InChI is InChI=1S/C15H20Cl2N2O/c1-10-5-7-19(8-6-10)11(2)15(20)18-14-9-12(16)3-4-13(14)17/h3-4,9-11H,5-8H2,1-2H3,(H,18,20)/t11-/m0/s1.
What are the key properties of (2S)-N-(2,5-dichlorophenyl)-2-(4-methylpiperidin-1-yl)propanamide?
(2S)-N-(2,5-dichlorophenyl)-2-(4-methylpiperidin-1-yl)propanamide has a molecular weight of 315.24 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2,5-dichlorophenyl)-2-(4-methylpiperidin-1-yl)propanamide is sourced from PubChem (CID 2690347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).