2-(4-chlorophenyl)-N-[1-(oxan-4-yl)piperidin-4-yl]acetamide

C18H25ClN2O2 — CID 126834660

IUPAC2-(4-chlorophenyl)-N-[1-(oxan-4-yl)piperidin-4-yl]acetamide
SMILESO=C(Cc1ccc(Cl)cc1)NC1CCN(C2CCOCC2)CC1
InChIInChI=1S/C18H25ClN2O2/c19-15-3-1-14(2-4-15)13-18(22)20-16-5-9-21(10-6-16)17-7-11-23-12-8-17/h1-4,16-17H,5-13H2,(H,20,22)
InChIKeySPMUJDUFQWMSKE-UHFFFAOYSA-N
MW336.86 g/mol
LogP2.64
Rot. Bonds4

About 2-(4-chlorophenyl)-N-[1-(oxan-4-yl)piperidin-4-yl]acetamide

2-(4-chlorophenyl)-N-[1-(oxan-4-yl)piperidin-4-yl]acetamide (PubChem CID 126834660) has the molecular formula C18H25ClN2O2 and a molecular weight of 336.86 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[1-(oxan-4-yl)piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[1-(oxan-4-yl)piperidin-4-yl]acetamide
PubChem CID126834660
Molecular FormulaC18H25ClN2O2
Molecular Weight336.86 g/mol
Exact Mass336.16
IUPAC Name2-(4-chlorophenyl)-N-[1-(oxan-4-yl)piperidin-4-yl]acetamide
SMILESO=C(Cc1ccc(Cl)cc1)NC1CCN(C2CCOCC2)CC1
InChIInChI=1S/C18H25ClN2O2/c19-15-3-1-14(2-4-15)13-18(22)20-16-5-9-21(10-6-16)17-7-11-23-12-8-17/h1-4,16-17H,5-13H2,(H,20,22)
InChIKeySPMUJDUFQWMSKE-UHFFFAOYSA-N
XLogP2.64
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.86
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-3-[1-(oxan-4-yl)piperidin-4-yl]urea
CID 94862524
2-[(4-chlorophenyl)methylamino]-N-(oxan-4-yl)acetamide
CID 63099718
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(4-hydroxyphenyl)acetamide
CID 78822391
3-chloro-N-[1-(oxan-4-yl)piperidin-4-yl]benzamide
CID 126834663
N-(1-cyclopropylpiperidin-4-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 43051431
2-(4-chlorophenyl)-N-[1-(cyclopentanecarbonyl)piperidin-4-yl]acetamide
CID 110819967
2-(4-methylphenyl)-N-(oxan-4-yl)acetamide
CID 110726863
N-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-2-(4-fluorophenyl)acetamide
CID 108559477
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-(4-chlorophenyl)acetamide
CID 16589818
2-amino-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(oxan-4-yl)acetamide;dihydrochloride
CID 120797287
2-chloro-6-methyl-N-[1-(oxan-4-yl)piperidin-4-yl]benzamide
CID 118774564
2-(4-chlorophenyl)-N-pyrrolidin-3-ylacetamide
CID 62379159

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[1-(oxan-4-yl)piperidin-4-yl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[1-(oxan-4-yl)piperidin-4-yl]acetamide (CID 126834660) is 2-(4-chlorophenyl)-N-[1-(oxan-4-yl)piperidin-4-yl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[1-(oxan-4-yl)piperidin-4-yl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[1-(oxan-4-yl)piperidin-4-yl]acetamide is O=C(Cc1ccc(Cl)cc1)NC1CCN(C2CCOCC2)CC1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[1-(oxan-4-yl)piperidin-4-yl]acetamide?
The InChIKey is SPMUJDUFQWMSKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN2O2/c19-15-3-1-14(2-4-15)13-18(22)20-16-5-9-21(10-6-16)17-7-11-23-12-8-17/h1-4,16-17H,5-13H2,(H,20,22).
What are the key properties of 2-(4-chlorophenyl)-N-[1-(oxan-4-yl)piperidin-4-yl]acetamide?
2-(4-chlorophenyl)-N-[1-(oxan-4-yl)piperidin-4-yl]acetamide has a molecular weight of 336.86 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[1-(oxan-4-yl)piperidin-4-yl]acetamide is sourced from PubChem (CID 126834660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).