2-(1-adamantyl)-N-[1-(3-chloro-2,2-dimethylpropanoyl)piperidin-4-yl]acetamide

C22H35ClN2O2 — CID 108559979

IUPAC2-(1-adamantyl)-N-[1-(3-chloro-2,2-dimethylpropanoyl)piperidin-4-yl]acetamide
SMILESCC(C)(CCl)C(=O)N1CCC(NC(=O)CC23CC4CC(CC(C4)C2)C3)CC1
InChIInChI=1S/C22H35ClN2O2/c1-21(2,14-23)20(27)25-5-3-18(4-6-25)24-19(26)13-22-10-15-7-16(11-22)9-17(8-15)12-22/h15-18H,3-14H2,1-2H3,(H,24,26)
InChIKeySMQOOMWVWYDXJO-UHFFFAOYSA-N
MW394.99 g/mol
LogP3.97
Rot. Bonds5

About 2-(1-adamantyl)-N-[1-(3-chloro-2,2-dimethylpropanoyl)piperidin-4-yl]acetamide

2-(1-adamantyl)-N-[1-(3-chloro-2,2-dimethylpropanoyl)piperidin-4-yl]acetamide (PubChem CID 108559979) has the molecular formula C22H35ClN2O2 and a molecular weight of 394.99 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-[1-(3-chloro-2,2-dimethylpropanoyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-[1-(3-chloro-2,2-dimethylpropanoyl)piperidin-4-yl]acetamide
PubChem CID108559979
Molecular FormulaC22H35ClN2O2
Molecular Weight394.99 g/mol
Exact Mass394.24
IUPAC Name2-(1-adamantyl)-N-[1-(3-chloro-2,2-dimethylpropanoyl)piperidin-4-yl]acetamide
SMILESCC(C)(CCl)C(=O)N1CCC(NC(=O)CC23CC4CC(CC(C4)C2)C3)CC1
InChIInChI=1S/C22H35ClN2O2/c1-21(2,14-23)20(27)25-5-3-18(4-6-25)24-19(26)13-22-10-15-7-16(11-22)9-17(8-15)12-22/h15-18H,3-14H2,1-2H3,(H,24,26)
InChIKeySMQOOMWVWYDXJO-UHFFFAOYSA-N
XLogP3.97
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.99
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(1-adamantyl)-N-(1-ethylsulfonylpiperidin-4-yl)acetamide
CID 108559964
2-(1-adamantyl)-N-(1-methylsulfonylpiperidin-4-yl)acetamide
CID 108559995
N-[1-[2-(1-adamantyl)acetyl]piperidin-4-yl]-3,3-dimethylbutanamide
CID 108564229
N-[1-(3-chloro-2,2-dimethylpropanoyl)piperidin-4-yl]pentanamide
CID 108561890
N-[1-[2-(1-adamantyl)acetyl]piperidin-4-yl]-4-chlorobutanamide
CID 108564224
3-chloro-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-2,2-dimethylpropanamide
CID 63680198
N-[1-(3-chloro-2,2-dimethylpropanoyl)piperidin-4-yl]-2-(4-methoxyphenyl)acetamide
CID 108559556
2-(1-adamantyl)-N-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]acetamide
CID 108559996
N-[1-[2-(1-adamantyl)acetyl]piperidin-4-yl]-3-methoxypropanamide
CID 108556161
2-(1-adamantyl)-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]acetamide
CID 108559969
N-[1-(3-acetamidobenzoyl)piperidin-4-yl]-2-(1-adamantyl)acetamide
CID 108550975
2-(1-adamantyl)-N-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-4-yl]acetamide
CID 108551002

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N-[1-(3-chloro-2,2-dimethylpropanoyl)piperidin-4-yl]acetamide?
The IUPAC name of 2-(1-adamantyl)-N-[1-(3-chloro-2,2-dimethylpropanoyl)piperidin-4-yl]acetamide (CID 108559979) is 2-(1-adamantyl)-N-[1-(3-chloro-2,2-dimethylpropanoyl)piperidin-4-yl]acetamide.
What is the SMILES notation for 2-(1-adamantyl)-N-[1-(3-chloro-2,2-dimethylpropanoyl)piperidin-4-yl]acetamide?
The canonical SMILES for 2-(1-adamantyl)-N-[1-(3-chloro-2,2-dimethylpropanoyl)piperidin-4-yl]acetamide is CC(C)(CCl)C(=O)N1CCC(NC(=O)CC23CC4CC(CC(C4)C2)C3)CC1.
What is the InChIKey of 2-(1-adamantyl)-N-[1-(3-chloro-2,2-dimethylpropanoyl)piperidin-4-yl]acetamide?
The InChIKey is SMQOOMWVWYDXJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35ClN2O2/c1-21(2,14-23)20(27)25-5-3-18(4-6-25)24-19(26)13-22-10-15-7-16(11-22)9-17(8-15)12-22/h15-18H,3-14H2,1-2H3,(H,24,26).
What are the key properties of 2-(1-adamantyl)-N-[1-(3-chloro-2,2-dimethylpropanoyl)piperidin-4-yl]acetamide?
2-(1-adamantyl)-N-[1-(3-chloro-2,2-dimethylpropanoyl)piperidin-4-yl]acetamide has a molecular weight of 394.99 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N-[1-(3-chloro-2,2-dimethylpropanoyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 108559979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).