2-(2-methylpiperidin-1-yl)-N-[(5S,7R)-3-phenyl-1-adamantyl]acetamide

C24H34N2O — CID 69020441

IUPAC2-(2-methylpiperidin-1-yl)-N-[(5S,7R)-3-phenyl-1-adamantyl]acetamide
SMILESCC1CCCCN1CC(=O)NC12C[C@H]3C[C@@H](C1)CC(c1ccccc1)(C3)C2
InChIInChI=1S/C24H34N2O/c1-18-7-5-6-10-26(18)16-22(27)25-24-14-19-11-20(15-24)13-23(12-19,17-24)21-8-3-2-4-9-21/h2-4,8-9,18-20H,5-7,10-17H2,1H3,(H,25,27)/t18?,19-,20+,23?,24?
InChIKeyTZLBZSUQJBFEBO-UDMDOTTCSA-N
MW366.55 g/mol
LogP4.27
Rot. Bonds4

About 2-(2-methylpiperidin-1-yl)-N-[(5S,7R)-3-phenyl-1-adamantyl]acetamide

2-(2-methylpiperidin-1-yl)-N-[(5S,7R)-3-phenyl-1-adamantyl]acetamide (PubChem CID 69020441) has the molecular formula C24H34N2O and a molecular weight of 366.55 g/mol. Its IUPAC name is 2-(2-methylpiperidin-1-yl)-N-[(5S,7R)-3-phenyl-1-adamantyl]acetamide.

Molecular Properties

Compound Name2-(2-methylpiperidin-1-yl)-N-[(5S,7R)-3-phenyl-1-adamantyl]acetamide
PubChem CID69020441
Molecular FormulaC24H34N2O
Molecular Weight366.55 g/mol
Exact Mass366.27
IUPAC Name2-(2-methylpiperidin-1-yl)-N-[(5S,7R)-3-phenyl-1-adamantyl]acetamide
SMILESCC1CCCCN1CC(=O)NC12C[C@H]3C[C@@H](C1)CC(c1ccccc1)(C3)C2
InChIInChI=1S/C24H34N2O/c1-18-7-5-6-10-26(18)16-22(27)25-24-14-19-11-20(15-24)13-23(12-19,17-24)21-8-3-2-4-9-21/h2-4,8-9,18-20H,5-7,10-17H2,1H3,(H,25,27)/t18?,19-,20+,23?,24?
InChIKeyTZLBZSUQJBFEBO-UDMDOTTCSA-N
XLogP4.27
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.55
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-(3-phenyl-1-adamantyl)acetamide
CID 71017966
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(5S,7R)-3-phenyl-1-adamantyl]acetamide
CID 11618255
N-(1-adamantylmethyl)-2-[(2S)-2-methylpiperidin-1-yl]acetamide
CID 8583065
N-(2-methylphenyl)-2-[(2S)-2-methylpiperidin-1-yl]acetamide
CID 7332900
N-(2-fluorophenyl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 8583353
1-(2-methylpiperidin-1-yl)-3-phenylpropan-2-one
CID 43794410
N-(2,6-dichlorophenyl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 2697996
N-(4-iodophenyl)-2-[(2S)-2-methylpiperidin-1-yl]acetamide
CID 2697962
N-(2,6-dimethylphenyl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 6994156
azepan-1-yl-[(5S,7R)-3-phenyl-1-adamantyl]methanone
CID 52510423
2-(2-methylpiperidin-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 51170933
N-(4-acetamidophenyl)-2-(2-methylpiperidin-1-yl)acetamide
CID 4818604

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpiperidin-1-yl)-N-[(5S,7R)-3-phenyl-1-adamantyl]acetamide?
The IUPAC name of 2-(2-methylpiperidin-1-yl)-N-[(5S,7R)-3-phenyl-1-adamantyl]acetamide (CID 69020441) is 2-(2-methylpiperidin-1-yl)-N-[(5S,7R)-3-phenyl-1-adamantyl]acetamide.
What is the SMILES notation for 2-(2-methylpiperidin-1-yl)-N-[(5S,7R)-3-phenyl-1-adamantyl]acetamide?
The canonical SMILES for 2-(2-methylpiperidin-1-yl)-N-[(5S,7R)-3-phenyl-1-adamantyl]acetamide is CC1CCCCN1CC(=O)NC12C[C@H]3C[C@@H](C1)CC(c1ccccc1)(C3)C2.
What is the InChIKey of 2-(2-methylpiperidin-1-yl)-N-[(5S,7R)-3-phenyl-1-adamantyl]acetamide?
The InChIKey is TZLBZSUQJBFEBO-UDMDOTTCSA-N. The full InChI is InChI=1S/C24H34N2O/c1-18-7-5-6-10-26(18)16-22(27)25-24-14-19-11-20(15-24)13-23(12-19,17-24)21-8-3-2-4-9-21/h2-4,8-9,18-20H,5-7,10-17H2,1H3,(H,25,27)/t18?,19-,20+,23?,24?.
What are the key properties of 2-(2-methylpiperidin-1-yl)-N-[(5S,7R)-3-phenyl-1-adamantyl]acetamide?
2-(2-methylpiperidin-1-yl)-N-[(5S,7R)-3-phenyl-1-adamantyl]acetamide has a molecular weight of 366.55 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpiperidin-1-yl)-N-[(5S,7R)-3-phenyl-1-adamantyl]acetamide is sourced from PubChem (CID 69020441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).