2-(1-adamantyl)-N-(2-chloro-5-piperidin-4-yloxyphenyl)acetamide

C23H31ClN2O2 — CID 18381572

IUPAC2-(1-adamantyl)-N-(2-chloro-5-piperidin-4-yloxyphenyl)acetamide
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)Nc1cc(OC2CCNCC2)ccc1Cl
InChIInChI=1S/C23H31ClN2O2/c24-20-2-1-19(28-18-3-5-25-6-4-18)10-21(20)26-22(27)14-23-11-15-7-16(12-23)9-17(8-15)13-23/h1-2,10,15-18,25H,3-9,11-14H2,(H,26,27)
InChIKeyLVDQGSJESDCPEN-UHFFFAOYSA-N
MW402.97 g/mol
LogP5.02
Rot. Bonds5

About 2-(1-adamantyl)-N-(2-chloro-5-piperidin-4-yloxyphenyl)acetamide

2-(1-adamantyl)-N-(2-chloro-5-piperidin-4-yloxyphenyl)acetamide (PubChem CID 18381572) has the molecular formula C23H31ClN2O2 and a molecular weight of 402.97 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-(2-chloro-5-piperidin-4-yloxyphenyl)acetamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-(2-chloro-5-piperidin-4-yloxyphenyl)acetamide
PubChem CID18381572
Molecular FormulaC23H31ClN2O2
Molecular Weight402.97 g/mol
Exact Mass402.21
IUPAC Name2-(1-adamantyl)-N-(2-chloro-5-piperidin-4-yloxyphenyl)acetamide
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)Nc1cc(OC2CCNCC2)ccc1Cl
InChIInChI=1S/C23H31ClN2O2/c24-20-2-1-19(28-18-3-5-25-6-4-18)10-21(20)26-22(27)14-23-11-15-7-16(12-23)9-17(8-15)13-23/h1-2,10,15-18,25H,3-9,11-14H2,(H,26,27)
InChIKeyLVDQGSJESDCPEN-UHFFFAOYSA-N
XLogP5.02
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.97
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[[2-(1-adamantyl)acetyl]amino]-4-chlorophenyl]propanamide
CID 3357853
2-(1-adamantyl)-N-(2-chlorophenyl)acetamide
CID 4563797
2-(1-adamantyl)-N-(3,5-dichlorophenyl)acetamide
CID 3436472
2-(1-adamantyl)-N-[4-(4-chlorophenoxy)phenyl]acetamide
CID 3621040
2-(1-adamantyl)-N-(5-chloro-2-methoxyphenyl)acetamide
CID 2959876
2-[(5R,7R)-3-bromo-1-adamantyl]-N-(2-chloro-4,5-dimethoxyphenyl)acetamide
CID 98341333
4-(4-chloro-3-ethylphenoxy)piperidine;hydrochloride
CID 56830986
4-chloro-3-[(2-piperidin-4-yloxyacetyl)amino]benzamide
CID 63875333
2-(1-adamantyl)-N-[2-methyl-5-[3-(methylamino)propoxy]phenyl]acetamide;hydrochloride
CID 131722598
N-(1-adamantylmethyl)-2-chloro-5-(2-piperidin-4-ylethoxy)benzamide
CID 18336920
2-(1-adamantyl)-N-(4-aminophenyl)acetamide
CID 79987888
2-(1-adamantyl)-N-(2-hydroxy-5-methylphenyl)acetamide
CID 3340169

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N-(2-chloro-5-piperidin-4-yloxyphenyl)acetamide?
The IUPAC name of 2-(1-adamantyl)-N-(2-chloro-5-piperidin-4-yloxyphenyl)acetamide (CID 18381572) is 2-(1-adamantyl)-N-(2-chloro-5-piperidin-4-yloxyphenyl)acetamide.
What is the SMILES notation for 2-(1-adamantyl)-N-(2-chloro-5-piperidin-4-yloxyphenyl)acetamide?
The canonical SMILES for 2-(1-adamantyl)-N-(2-chloro-5-piperidin-4-yloxyphenyl)acetamide is O=C(CC12CC3CC(CC(C3)C1)C2)Nc1cc(OC2CCNCC2)ccc1Cl.
What is the InChIKey of 2-(1-adamantyl)-N-(2-chloro-5-piperidin-4-yloxyphenyl)acetamide?
The InChIKey is LVDQGSJESDCPEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31ClN2O2/c24-20-2-1-19(28-18-3-5-25-6-4-18)10-21(20)26-22(27)14-23-11-15-7-16(12-23)9-17(8-15)13-23/h1-2,10,15-18,25H,3-9,11-14H2,(H,26,27).
What are the key properties of 2-(1-adamantyl)-N-(2-chloro-5-piperidin-4-yloxyphenyl)acetamide?
2-(1-adamantyl)-N-(2-chloro-5-piperidin-4-yloxyphenyl)acetamide has a molecular weight of 402.97 g/mol, XLogP of 5.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N-(2-chloro-5-piperidin-4-yloxyphenyl)acetamide is sourced from PubChem (CID 18381572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).