2-[1-[(2S)-2-(3-chlorophenyl)propyl]piperidin-4-yl]acetamide

C16H23ClN2O — CID 99828801

IUPAC2-[1-[(2S)-2-(3-chlorophenyl)propyl]piperidin-4-yl]acetamide
SMILESC[C@H](CN1CCC(CC(N)=O)CC1)c1cccc(Cl)c1
InChIInChI=1S/C16H23ClN2O/c1-12(14-3-2-4-15(17)10-14)11-19-7-5-13(6-8-19)9-16(18)20/h2-4,10,12-13H,5-9,11H2,1H3,(H2,18,20)/t12-/m1/s1
InChIKeyWDOCBVFVTAGFLX-GFCCVEGCSA-N
MW294.83 g/mol
LogP3.03
Rot. Bonds5

About 2-[1-[(2S)-2-(3-chlorophenyl)propyl]piperidin-4-yl]acetamide

2-[1-[(2S)-2-(3-chlorophenyl)propyl]piperidin-4-yl]acetamide (PubChem CID 99828801) has the molecular formula C16H23ClN2O and a molecular weight of 294.83 g/mol. Its IUPAC name is 2-[1-[(2S)-2-(3-chlorophenyl)propyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-[1-[(2S)-2-(3-chlorophenyl)propyl]piperidin-4-yl]acetamide
PubChem CID99828801
Molecular FormulaC16H23ClN2O
Molecular Weight294.83 g/mol
Exact Mass294.15
IUPAC Name2-[1-[(2S)-2-(3-chlorophenyl)propyl]piperidin-4-yl]acetamide
SMILESC[C@H](CN1CCC(CC(N)=O)CC1)c1cccc(Cl)c1
InChIInChI=1S/C16H23ClN2O/c1-12(14-3-2-4-15(17)10-14)11-19-7-5-13(6-8-19)9-16(18)20/h2-4,10,12-13H,5-9,11H2,1H3,(H2,18,20)/t12-/m1/s1
InChIKeyWDOCBVFVTAGFLX-GFCCVEGCSA-N
XLogP3.03
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(3-chlorophenyl)propyl]piperidin-4-ol
CID 86804164
N-[1-[(2S)-2-(3-chlorophenyl)propyl]piperidin-4-yl]acetamide
CID 99823532
2-[1-[2-(3-chlorophenyl)propyl]piperidin-4-yl]-N-methylethanamine;hydrochloride
CID 120843488
1-[2-(3-chlorophenyl)propyl]piperidin-3-amine
CID 120834767
(2S,6R)-4-[(2R)-2-(3-chlorophenyl)propyl]-6-methylmorpholine-2-carboxamide
CID 99857105
1-[2-(3-chlorophenyl)propyl]-N-methylpiperidin-3-amine
CID 120837905
2-(4-aminopiperidin-1-yl)-N-[(1S)-1-(3-chlorophenyl)ethyl]acetamide
CID 81371581
[4-[2-(3-chlorophenyl)propyl]morpholin-2-yl]methanol
CID 86817957
2-[1-[2-(3-aminophenyl)propanoyl]piperidin-4-yl]acetamide
CID 106591103
[1-[(2S)-2-(3-chlorophenyl)propanoyl]piperidin-4-yl]methanesulfonamide
CID 96510197
1-[2-(3-chlorophenyl)-2-hydroxyethyl]-N-propan-2-ylpiperidine-4-carboxamide
CID 111487644
2-[1-[1-(3-chlorophenyl)cyclopropanecarbonyl]piperidin-4-yl]acetamide
CID 56813617

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2S)-2-(3-chlorophenyl)propyl]piperidin-4-yl]acetamide?
The IUPAC name of 2-[1-[(2S)-2-(3-chlorophenyl)propyl]piperidin-4-yl]acetamide (CID 99828801) is 2-[1-[(2S)-2-(3-chlorophenyl)propyl]piperidin-4-yl]acetamide.
What is the SMILES notation for 2-[1-[(2S)-2-(3-chlorophenyl)propyl]piperidin-4-yl]acetamide?
The canonical SMILES for 2-[1-[(2S)-2-(3-chlorophenyl)propyl]piperidin-4-yl]acetamide is C[C@H](CN1CCC(CC(N)=O)CC1)c1cccc(Cl)c1.
What is the InChIKey of 2-[1-[(2S)-2-(3-chlorophenyl)propyl]piperidin-4-yl]acetamide?
The InChIKey is WDOCBVFVTAGFLX-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H23ClN2O/c1-12(14-3-2-4-15(17)10-14)11-19-7-5-13(6-8-19)9-16(18)20/h2-4,10,12-13H,5-9,11H2,1H3,(H2,18,20)/t12-/m1/s1.
What are the key properties of 2-[1-[(2S)-2-(3-chlorophenyl)propyl]piperidin-4-yl]acetamide?
2-[1-[(2S)-2-(3-chlorophenyl)propyl]piperidin-4-yl]acetamide has a molecular weight of 294.83 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2S)-2-(3-chlorophenyl)propyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 99828801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).