N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-piperidin-1-ylacetamide

C15H20Cl2N2O — CID 8894515

IUPACN-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-piperidin-1-ylacetamide
SMILESC[C@H](NC(=O)CN1CCCCC1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H20Cl2N2O/c1-11(13-6-5-12(16)9-14(13)17)18-15(20)10-19-7-3-2-4-8-19/h5-6,9,11H,2-4,7-8,10H2,1H3,(H,18,20)/t11-/m0/s1
InChIKeySOHBSZGHFKOTFX-NSHDSACASA-N
MW315.24 g/mol
LogP3.66
Rot. Bonds4

About N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-piperidin-1-ylacetamide

N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-piperidin-1-ylacetamide (PubChem CID 8894515) has the molecular formula C15H20Cl2N2O and a molecular weight of 315.24 g/mol. Its IUPAC name is N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-piperidin-1-ylacetamide.

Molecular Properties

Compound NameN-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-piperidin-1-ylacetamide
PubChem CID8894515
Molecular FormulaC15H20Cl2N2O
Molecular Weight315.24 g/mol
Exact Mass314.10
IUPAC NameN-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-piperidin-1-ylacetamide
SMILESC[C@H](NC(=O)CN1CCCCC1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H20Cl2N2O/c1-11(13-6-5-12(16)9-14(13)17)18-15(20)10-19-7-3-2-4-8-19/h5-6,9,11H,2-4,7-8,10H2,1H3,(H,18,20)/t11-/m0/s1
InChIKeySOHBSZGHFKOTFX-NSHDSACASA-N
XLogP3.66
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 ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2-piperidin-1-ylacetamide
CID 8894518
2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]acetamide
CID 30725870
N-[(1R)-1-(2-chlorophenyl)ethyl]-2-piperidin-1-ylacetamide
CID 8894573
ethyl 1-[2-[1-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl]piperidine-4-carboxylate
CID 51170749
N-[1-(2,4-dichlorophenyl)ethyl]-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide
CID 55470483
ethyl (3R)-1-[2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]piperidine-3-carboxylate
CID 8532308
N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]acetamide
CID 8899220
4-[4-[2-[1-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl]piperazin-1-yl]benzamide
CID 86969617
N-[1-(2,4-dichlorophenyl)ethyl]-2-(2-methylmorpholin-4-yl)acetamide
CID 46677677
N-[1-(2,4-dichlorophenyl)ethyl]-2-(2-oxo-1-pyridinyl)acetamide
CID 51175104
N-[1-(2,4-dichlorophenyl)ethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide
CID 42978759
N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetamide
CID 7757106

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-piperidin-1-ylacetamide?
The IUPAC name of N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-piperidin-1-ylacetamide (CID 8894515) is N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-piperidin-1-ylacetamide.
What is the SMILES notation for N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-piperidin-1-ylacetamide?
The canonical SMILES for N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-piperidin-1-ylacetamide is C[C@H](NC(=O)CN1CCCCC1)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-piperidin-1-ylacetamide?
The InChIKey is SOHBSZGHFKOTFX-NSHDSACASA-N. The full InChI is InChI=1S/C15H20Cl2N2O/c1-11(13-6-5-12(16)9-14(13)17)18-15(20)10-19-7-3-2-4-8-19/h5-6,9,11H,2-4,7-8,10H2,1H3,(H,18,20)/t11-/m0/s1.
What are the key properties of N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-piperidin-1-ylacetamide?
N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-piperidin-1-ylacetamide has a molecular weight of 315.24 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-piperidin-1-ylacetamide is sourced from PubChem (CID 8894515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).