N-[2-[(2R)-4-methyl-2-phenylpiperazin-1-yl]-2-oxoethyl]adamantane-1-carboxamide

C24H33N3O2 — CID 51925999

IUPACN-[2-[(2R)-4-methyl-2-phenylpiperazin-1-yl]-2-oxoethyl]adamantane-1-carboxamide
SMILESCN1CCN(C(=O)CNC(=O)C23CC4CC(CC(C4)C2)C3)[C@H](c2ccccc2)C1
InChIInChI=1S/C24H33N3O2/c1-26-7-8-27(21(16-26)20-5-3-2-4-6-20)22(28)15-25-23(29)24-12-17-9-18(13-24)11-19(10-17)14-24/h2-6,17-19,21H,7-16H2,1H3,(H,25,29)/t17?,18?,19?,21-,24?/m0/s1
InChIKeyUCHKAKSHPGAAPF-IOFSEFHDSA-N
MW395.55 g/mol
LogP2.83
Rot. Bonds4

About N-[2-[(2R)-4-methyl-2-phenylpiperazin-1-yl]-2-oxoethyl]adamantane-1-carboxamide

N-[2-[(2R)-4-methyl-2-phenylpiperazin-1-yl]-2-oxoethyl]adamantane-1-carboxamide (PubChem CID 51925999) has the molecular formula C24H33N3O2 and a molecular weight of 395.55 g/mol. Its IUPAC name is N-[2-[(2R)-4-methyl-2-phenylpiperazin-1-yl]-2-oxoethyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[2-[(2R)-4-methyl-2-phenylpiperazin-1-yl]-2-oxoethyl]adamantane-1-carboxamide
PubChem CID51925999
Molecular FormulaC24H33N3O2
Molecular Weight395.55 g/mol
Exact Mass395.26
IUPAC NameN-[2-[(2R)-4-methyl-2-phenylpiperazin-1-yl]-2-oxoethyl]adamantane-1-carboxamide
SMILESCN1CCN(C(=O)CNC(=O)C23CC4CC(CC(C4)C2)C3)[C@H](c2ccccc2)C1
InChIInChI=1S/C24H33N3O2/c1-26-7-8-27(21(16-26)20-5-3-2-4-6-20)22(28)15-25-23(29)24-12-17-9-18(13-24)11-19(10-17)14-24/h2-6,17-19,21H,7-16H2,1H3,(H,25,29)/t17?,18?,19?,21-,24?/m0/s1
InChIKeyUCHKAKSHPGAAPF-IOFSEFHDSA-N
XLogP2.83
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(2R)-4-methyl-2-phenylpiperazin-1-yl]-2-oxoethyl]adamantane-1-carboxamide?
The IUPAC name of N-[2-[(2R)-4-methyl-2-phenylpiperazin-1-yl]-2-oxoethyl]adamantane-1-carboxamide (CID 51925999) is N-[2-[(2R)-4-methyl-2-phenylpiperazin-1-yl]-2-oxoethyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[2-[(2R)-4-methyl-2-phenylpiperazin-1-yl]-2-oxoethyl]adamantane-1-carboxamide?
The canonical SMILES for N-[2-[(2R)-4-methyl-2-phenylpiperazin-1-yl]-2-oxoethyl]adamantane-1-carboxamide is CN1CCN(C(=O)CNC(=O)C23CC4CC(CC(C4)C2)C3)[C@H](c2ccccc2)C1.
What is the InChIKey of N-[2-[(2R)-4-methyl-2-phenylpiperazin-1-yl]-2-oxoethyl]adamantane-1-carboxamide?
The InChIKey is UCHKAKSHPGAAPF-IOFSEFHDSA-N. The full InChI is InChI=1S/C24H33N3O2/c1-26-7-8-27(21(16-26)20-5-3-2-4-6-20)22(28)15-25-23(29)24-12-17-9-18(13-24)11-19(10-17)14-24/h2-6,17-19,21H,7-16H2,1H3,(H,25,29)/t17?,18?,19?,21-,24?/m0/s1.
What are the key properties of N-[2-[(2R)-4-methyl-2-phenylpiperazin-1-yl]-2-oxoethyl]adamantane-1-carboxamide?
N-[2-[(2R)-4-methyl-2-phenylpiperazin-1-yl]-2-oxoethyl]adamantane-1-carboxamide has a molecular weight of 395.55 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2R)-4-methyl-2-phenylpiperazin-1-yl]-2-oxoethyl]adamantane-1-carboxamide is sourced from PubChem (CID 51925999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).