N-[1-(4-chlorophenyl)ethyl]-2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]acetamide

C18H25ClN2O3 — CID 56501329

IUPACN-[1-(4-chlorophenyl)ethyl]-2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]acetamide
SMILESCC(NC(=O)CN1CCCCC1C1OCCO1)c1ccc(Cl)cc1
InChIInChI=1S/C18H25ClN2O3/c1-13(14-5-7-15(19)8-6-14)20-17(22)12-21-9-3-2-4-16(21)18-23-10-11-24-18/h5-8,13,16,18H,2-4,9-12H2,1H3,(H,20,22)
InChIKeyVOTNMVZGHPUGFT-UHFFFAOYSA-N
MW352.86 g/mol
LogP2.74
Rot. Bonds5

About N-[1-(4-chlorophenyl)ethyl]-2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]acetamide

N-[1-(4-chlorophenyl)ethyl]-2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]acetamide (PubChem CID 56501329) has the molecular formula C18H25ClN2O3 and a molecular weight of 352.86 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)ethyl]-2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)ethyl]-2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]acetamide
PubChem CID56501329
Molecular FormulaC18H25ClN2O3
Molecular Weight352.86 g/mol
Exact Mass352.16
IUPAC NameN-[1-(4-chlorophenyl)ethyl]-2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]acetamide
SMILESCC(NC(=O)CN1CCCCC1C1OCCO1)c1ccc(Cl)cc1
InChIInChI=1S/C18H25ClN2O3/c1-13(14-5-7-15(19)8-6-14)20-17(22)12-21-9-3-2-4-16(21)18-23-10-11-24-18/h5-8,13,16,18H,2-4,9-12H2,1H3,(H,20,22)
InChIKeyVOTNMVZGHPUGFT-UHFFFAOYSA-N
XLogP2.74
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.86
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 56500926
2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-N-(1-naphthalen-2-ylethyl)acetamide
CID 55827722
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]acetamide
CID 56501603
2-(4-aminopiperidin-1-yl)-N-[1-(4-chlorophenyl)ethyl]acetamide
CID 79328175
2-(4-aminopiperidin-1-yl)-N-[(1R)-1-(4-chlorophenyl)ethyl]acetamide
CID 81353847
2-[[2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]acetyl]amino]-N-(2-methylpropyl)benzamide
CID 56500542
2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 56501460
N-[(1R)-1-(4-chlorophenyl)propyl]-2-[(2S)-2-methylpiperidin-1-yl]acetamide
CID 32858382
N-(2-benzoyl-4-chlorophenyl)-2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]acetamide
CID 56501325
(2R)-1-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]piperidine-2-carboxamide
CID 41075375
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]acetamide
CID 95332208
N-[1-(4-chlorophenyl)ethyl]-2-[cycloheptyl(methyl)amino]acetamide
CID 55469245

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)ethyl]-2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]acetamide?
The IUPAC name of N-[1-(4-chlorophenyl)ethyl]-2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]acetamide (CID 56501329) is N-[1-(4-chlorophenyl)ethyl]-2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)ethyl]-2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]acetamide?
The canonical SMILES for N-[1-(4-chlorophenyl)ethyl]-2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]acetamide is CC(NC(=O)CN1CCCCC1C1OCCO1)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)ethyl]-2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]acetamide?
The InChIKey is VOTNMVZGHPUGFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN2O3/c1-13(14-5-7-15(19)8-6-14)20-17(22)12-21-9-3-2-4-16(21)18-23-10-11-24-18/h5-8,13,16,18H,2-4,9-12H2,1H3,(H,20,22).
What are the key properties of N-[1-(4-chlorophenyl)ethyl]-2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]acetamide?
N-[1-(4-chlorophenyl)ethyl]-2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]acetamide has a molecular weight of 352.86 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)ethyl]-2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]acetamide is sourced from PubChem (CID 56501329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).