N-[3-methyl-4-(2-oxopiperidin-1-yl)phenyl]adamantane-1-carboxamide

C23H30N2O2 — CID 7687446

IUPACN-[3-methyl-4-(2-oxopiperidin-1-yl)phenyl]adamantane-1-carboxamide
SMILESCc1cc(NC(=O)C23CC4CC(CC(C4)C2)C3)ccc1N1CCCCC1=O
InChIInChI=1S/C23H30N2O2/c1-15-8-19(5-6-20(15)25-7-3-2-4-21(25)26)24-22(27)23-12-16-9-17(13-23)11-18(10-16)14-23/h5-6,8,16-18H,2-4,7,9-14H2,1H3,(H,24,27)
InChIKeyCNSIFSKUMFUSKH-UHFFFAOYSA-N
MW366.51 g/mol
LogP4.67
Rot. Bonds3

About N-[3-methyl-4-(2-oxopiperidin-1-yl)phenyl]adamantane-1-carboxamide

N-[3-methyl-4-(2-oxopiperidin-1-yl)phenyl]adamantane-1-carboxamide (PubChem CID 7687446) has the molecular formula C23H30N2O2 and a molecular weight of 366.51 g/mol. Its IUPAC name is N-[3-methyl-4-(2-oxopiperidin-1-yl)phenyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[3-methyl-4-(2-oxopiperidin-1-yl)phenyl]adamantane-1-carboxamide
PubChem CID7687446
Molecular FormulaC23H30N2O2
Molecular Weight366.51 g/mol
Exact Mass366.23
IUPAC NameN-[3-methyl-4-(2-oxopiperidin-1-yl)phenyl]adamantane-1-carboxamide
SMILESCc1cc(NC(=O)C23CC4CC(CC(C4)C2)C3)ccc1N1CCCCC1=O
InChIInChI=1S/C23H30N2O2/c1-15-8-19(5-6-20(15)25-7-3-2-4-21(25)26)24-22(27)23-12-16-9-17(13-23)11-18(10-16)14-23/h5-6,8,16-18H,2-4,7,9-14H2,1H3,(H,24,27)
InChIKeyCNSIFSKUMFUSKH-UHFFFAOYSA-N
XLogP4.67
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-methyl-4-(2-oxopiperidin-1-yl)phenyl]cyclopropanecarboxamide
CID 7687364
N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-4-(2-oxopiperidin-1-yl)benzamide
CID 18204867
2,6-difluoro-N-[3-methyl-4-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 7687375
4-[[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]benzoic acid
CID 45393767
N'-(3,5-dimethylphenyl)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 30679282
phenyl N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]carbamate
CID 7686624
[2-[3-methyl-4-(2-oxopiperidin-1-yl)anilino]-2-oxoethyl] 2-methylpropanoate
CID 7687436
N-(3,4-dimethylphenyl)-N'-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]oxamide
CID 30680052
N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-2-(propan-2-ylamino)acetamide
CID 60718577
N-cyclohexyl-N'-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 30679262
N-cycloheptyl-N'-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 18584403
2-methoxy-N-[3-methyl-4-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 7687400

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-4-(2-oxopiperidin-1-yl)phenyl]adamantane-1-carboxamide?
The IUPAC name of N-[3-methyl-4-(2-oxopiperidin-1-yl)phenyl]adamantane-1-carboxamide (CID 7687446) is N-[3-methyl-4-(2-oxopiperidin-1-yl)phenyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[3-methyl-4-(2-oxopiperidin-1-yl)phenyl]adamantane-1-carboxamide?
The canonical SMILES for N-[3-methyl-4-(2-oxopiperidin-1-yl)phenyl]adamantane-1-carboxamide is Cc1cc(NC(=O)C23CC4CC(CC(C4)C2)C3)ccc1N1CCCCC1=O.
What is the InChIKey of N-[3-methyl-4-(2-oxopiperidin-1-yl)phenyl]adamantane-1-carboxamide?
The InChIKey is CNSIFSKUMFUSKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O2/c1-15-8-19(5-6-20(15)25-7-3-2-4-21(25)26)24-22(27)23-12-16-9-17(13-23)11-18(10-16)14-23/h5-6,8,16-18H,2-4,7,9-14H2,1H3,(H,24,27).
What are the key properties of N-[3-methyl-4-(2-oxopiperidin-1-yl)phenyl]adamantane-1-carboxamide?
N-[3-methyl-4-(2-oxopiperidin-1-yl)phenyl]adamantane-1-carboxamide has a molecular weight of 366.51 g/mol, XLogP of 4.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-4-(2-oxopiperidin-1-yl)phenyl]adamantane-1-carboxamide is sourced from PubChem (CID 7687446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).